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

C11H17N3OS — CID 107413079

IUPAC2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(N)n2)C1
InChIInChI=1S/C11H17N3OS/c1-7-2-3-8(4-7)5-13-10(15)9-6-16-11(12)14-9/h6-8H,2-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyPVFCOZKANWMTDN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.89
Rot. Bonds3

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

2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 107413079) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID107413079
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(N)n2)C1
InChIInChI=1S/C11H17N3OS/c1-7-2-3-8(4-7)5-13-10(15)9-6-16-11(12)14-9/h6-8H,2-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyPVFCOZKANWMTDN-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415
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
6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107412464
4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107410962
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
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
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide (CID 107413079) is 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide is CC1CCC(CNC(=O)c2csc(N)n2)C1.
What is the InChIKey of 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PVFCOZKANWMTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-2-3-8(4-7)5-13-10(15)9-6-16-11(12)14-9/h6-8H,2-5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107413079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).