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

C6H9N3OS — CID 110717958

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1csc(N)n1
InChIInChI=1S/C6H9N3OS/c1-4(10)8-2-5-3-11-6(7)9-5/h3H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyBWAZTWREDCBUEB-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.36
Rot. Bonds2

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

N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 110717958) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID110717958
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1csc(N)n1
InChIInChI=1S/C6H9N3OS/c1-4(10)8-2-5-3-11-6(7)9-5/h3H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyBWAZTWREDCBUEB-UHFFFAOYSA-N
XLogP0.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide
CID 22413713
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea
CID 110747812
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 121499949
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104761336
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide (CID 110717958) is N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide is CC(=O)NCc1csc(N)n1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is BWAZTWREDCBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4(10)8-2-5-3-11-6(7)9-5/h3H,2H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 171.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 110717958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).