N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine

C17H22N2S2 — CID 61331244

IUPACN-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCSc2ccccc21
InChIInChI=1S/C17H22N2S2/c1-4-18-17(16-19-14(11-21-16)12(2)3)9-10-20-15-8-6-5-7-13(15)17/h5-8,11-12,18H,4,9-10H2,1-3H3
InChIKeyQNFXCTWIGKWORF-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.62
Rot. Bonds4

About N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine

N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine (PubChem CID 61331244) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
PubChem CID61331244
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC NameN-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCSc2ccccc21
InChIInChI=1S/C17H22N2S2/c1-4-18-17(16-19-14(11-21-16)12(2)3)9-10-20-15-8-6-5-7-13(15)17/h5-8,11-12,18H,4,9-10H2,1-3H3
InChIKeyQNFXCTWIGKWORF-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 62542274
4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine
CID 61333414
1-ethyl-N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-amine
CID 61331152
N-ethyl-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64753478
N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64746656
N-ethyl-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330634
N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 81314182
N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085927
3,3-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 80699573
1-ethyl-N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-amine
CID 61335805
4-bromo-4-ethyl-2,3-dihydrothiochromene
CID 172717703
N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
CID 65077595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The IUPAC name of N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine (CID 61331244) is N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine.
What is the SMILES notation for N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The canonical SMILES for N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine is CCNC1(c2nc(C(C)C)cs2)CCSc2ccccc21.
What is the InChIKey of N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The InChIKey is QNFXCTWIGKWORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-4-18-17(16-19-14(11-21-16)12(2)3)9-10-20-15-8-6-5-7-13(15)17/h5-8,11-12,18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine has a molecular weight of 318.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine is sourced from PubChem (CID 61331244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).