N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide

C12H20N4OS — CID 50978068

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide
SMILESNc1nc(CNC(=O)CN2CCCCCC2)cs1
InChIInChI=1S/C12H20N4OS/c13-12-15-10(9-18-12)7-14-11(17)8-16-5-3-1-2-4-6-16/h9H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyKYLAKXOFMVSDHG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.22
Rot. Bonds4

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide (PubChem CID 50978068) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide
PubChem CID50978068
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide
SMILESNc1nc(CNC(=O)CN2CCCCCC2)cs1
InChIInChI=1S/C12H20N4OS/c13-12-15-10(9-18-12)7-14-11(17)8-16-5-3-1-2-4-6-16/h9H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyKYLAKXOFMVSDHG-UHFFFAOYSA-N
XLogP1.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide
CID 122149386
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 648883
2-(Azepan-1-YL)-N-ethyl-1,3-thiazole-4-carboxamide
CID 53015922
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
CID 75418835
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide
CID 91770106
2-amino-N-(1,1-dimethyl-2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 124209608
2-Amino-N-{2-[cyclopentyl(methyl)amino]ethyl}-N-methyl-1,3-thiazole-4-carboxamide
CID 124213499
2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 125175601
(5S)-5-[(2-amino-1,3-thiazol-4-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one
CID 125520689
2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 125521695
2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813398
2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813400

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide (CID 50978068) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide is Nc1nc(CNC(=O)CN2CCCCCC2)cs1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide?
The InChIKey is KYLAKXOFMVSDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c13-12-15-10(9-18-12)7-14-11(17)8-16-5-3-1-2-4-6-16/h9H,1-8H2,(H2,13,15)(H,14,17).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(azepan-1-yl)acetamide is sourced from PubChem (CID 50978068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).