1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C13H22N4S — CID 63917328

IUPAC1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCN(C)CC2)nc1C1CC1
InChIInChI=1S/C13H22N4S/c1-14-9-11-12(10-3-4-10)15-13(18-11)17-7-5-16(2)6-8-17/h10,14H,3-9H2,1-2H3
InChIKeyHODCTNWNLGKQRN-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.49
Rot. Bonds4

About 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 63917328) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID63917328
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCN(C)CC2)nc1C1CC1
InChIInChI=1S/C13H22N4S/c1-14-9-11-12(10-3-4-10)15-13(18-11)17-7-5-16(2)6-8-17/h10,14H,3-9H2,1-2H3
InChIKeyHODCTNWNLGKQRN-UHFFFAOYSA-N
XLogP1.49
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63915838
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63918188
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82438000
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63917159
N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63917230
N-[[4-cyclopropyl-2-(4-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916226
N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63916198

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 63917328) is 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(N2CCN(C)CC2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is HODCTNWNLGKQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-14-9-11-12(10-3-4-10)15-13(18-11)17-7-5-16(2)6-8-17/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 266.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63917328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).