2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 63243415

IUPAC2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-8-2-4-9(5-3-8)6-14-11(16)10-7-17-12(13)15-10/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHJWPMJNFOKZGCU-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 63243415) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID63243415
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-8-2-4-9(5-3-8)6-14-11(16)10-7-17-12(13)15-10/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHJWPMJNFOKZGCU-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 107413079
2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 118795603
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62789140
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62975755
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65120198
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide (CID 63243415) is 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide is CC1CCC(CNC(=O)c2csc(N)n2)CC1.
What is the InChIKey of 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HJWPMJNFOKZGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-2-4-9(5-3-8)6-14-11(16)10-7-17-12(13)15-10/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63243415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).