3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole

C69H121ClN12O5S2 — CID 159435901

IUPAC3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCC(C)N1CCC(COCC2(C)COC2)CC1.CC(C)N1CCC(OCC2(C)COC2)CC1.CC(C)N1CCN(c2nccs2)CC1.CC(C)N1CCN(c2nsnc2Cl)CC1.CC(C)N1Cc2ccccc2C1.CC1=NOC(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H27NO2.C13H25NO2.C12H22N2O.C11H15N.C10H17N3S.C9H15ClN4S/c1-12(2)15-6-4-13(5-7-15)8-16-9-14(3)10-17-11-14;1-11(2)14-6-4-12(5-7-14)16-10-13(3)8-15-9-13;1-9(2)14-6-4-11(5-7-14)12-8-10(3)13-15-12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-4-6-13(7-5-12)10-11-3-8-14-10;1-7(2)13-3-5-14(6-4-13)9-8(10)11-15-12-9/h12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;9,11-12H,4-8H2,1-3H3;3-6,9H,7-8H2,1-2H3;3,8-9H,4-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLROQIKFUNZVQSI-UHFFFAOYSA-N
MW1298.39 g/mol
LogP12.15
Rot. Bonds16

About 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole

3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 159435901) has the molecular formula C69H121ClN12O5S2 and a molecular weight of 1298.39 g/mol. Its IUPAC name is 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID159435901
Molecular FormulaC69H121ClN12O5S2
Molecular Weight1298.39 g/mol
Exact Mass1296.87
IUPAC Name3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCC(C)N1CCC(COCC2(C)COC2)CC1.CC(C)N1CCC(OCC2(C)COC2)CC1.CC(C)N1CCN(c2nccs2)CC1.CC(C)N1CCN(c2nsnc2Cl)CC1.CC(C)N1Cc2ccccc2C1.CC1=NOC(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H27NO2.C13H25NO2.C12H22N2O.C11H15N.C10H17N3S.C9H15ClN4S/c1-12(2)15-6-4-13(5-7-15)8-16-9-14(3)10-17-11-14;1-11(2)14-6-4-12(5-7-14)16-10-13(3)8-15-9-13;1-9(2)14-6-4-11(5-7-14)12-8-10(3)13-15-12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-4-6-13(7-5-12)10-11-3-8-14-10;1-7(2)13-3-5-14(6-4-13)9-8(10)11-15-12-9/h12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;9,11-12H,4-8H2,1-3H3;3-6,9H,7-8H2,1-2H3;3,8-9H,4-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLROQIKFUNZVQSI-UHFFFAOYSA-N
XLogP12.15
TPSA123.10 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.39
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (CID 159435901) is 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is CC(C)N1CCC(COCC2(C)COC2)CC1.CC(C)N1CCC(OCC2(C)COC2)CC1.CC(C)N1CCN(c2nccs2)CC1.CC(C)N1CCN(c2nsnc2Cl)CC1.CC(C)N1Cc2ccccc2C1.CC1=NOC(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is LROQIKFUNZVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C13H25NO2.C12H22N2O.C11H15N.C10H17N3S.C9H15ClN4S/c1-12(2)15-6-4-13(5-7-15)8-16-9-14(3)10-17-11-14;1-11(2)14-6-4-12(5-7-14)16-10-13(3)8-15-9-13;1-9(2)14-6-4-11(5-7-14)12-8-10(3)13-15-12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-4-6-13(7-5-12)10-11-3-8-14-10;1-7(2)13-3-5-14(6-4-13)9-8(10)11-15-12-9/h12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;9,11-12H,4-8H2,1-3H3;3-6,9H,7-8H2,1-2H3;3,8-9H,4-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 1298.39 g/mol, XLogP of 12.15, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-propan-2-ylpiperazin-1-yl)-1,2,5-thiadiazole;4-[(3-methyloxetan-3-yl)methoxymethyl]-1-propan-2-ylpiperidine;4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine;3-methyl-5-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole;2-propan-2-yl-1,3-dihydroisoindole;2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 159435901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).