2-acetamido-1,3-thiazole-5-carboxamide

C6H7N3O2S — CID 119098439

IUPAC2-acetamido-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C6H7N3O2S/c1-3(10)9-6-8-2-4(12-6)5(7)11/h2H,1H3,(H2,7,11)(H,8,9,10)
InChIKeyMRVKRNBDVORQFH-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.20
Rot. Bonds2

About 2-acetamido-1,3-thiazole-5-carboxamide

2-acetamido-1,3-thiazole-5-carboxamide (PubChem CID 119098439) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-acetamido-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-1,3-thiazole-5-carboxamide
PubChem CID119098439
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-acetamido-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C6H7N3O2S/c1-3(10)9-6-8-2-4(12-6)5(7)11/h2H,1H3,(H2,7,11)(H,8,9,10)
InChIKeyMRVKRNBDVORQFH-UHFFFAOYSA-N
XLogP0.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1,3-thiazole-5-carboxamide
CID 16227213
2-Acetamido-5-methylthiazole
CID 298507
2-Amino-1,3-thiazole-5-carbohydrazide
CID 468667
2-(Methylamino)thiazole-5-carboxamide
CID 56609316
N-(5-Formylthiazol-2-yl)acetamide
CID 11829864
2-(Methylamino)-1,3-thiazole-5-carbaldehyde
CID 22081018
2-Acetamido-1,3-thiazole-5-carboxylic acid
CID 44118319
2-amino-N-methyl-1,3-thiazole-5-carboxamide
CID 59600355
2-(2-Methylpropanamido)-1,3-thiazole-5-carboxylic acid
CID 138472962
2-(Ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
[2-(Ethylamino)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 86797132
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-1,3-thiazole-5-carboxamide (CID 119098439) is 2-acetamido-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-1,3-thiazole-5-carboxamide is CC(=O)Nc1ncc(C(N)=O)s1.
What is the InChIKey of 2-acetamido-1,3-thiazole-5-carboxamide?
The InChIKey is MRVKRNBDVORQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c1-3(10)9-6-8-2-4(12-6)5(7)11/h2H,1H3,(H2,7,11)(H,8,9,10).
What are the key properties of 2-acetamido-1,3-thiazole-5-carboxamide?
2-acetamido-1,3-thiazole-5-carboxamide has a molecular weight of 185.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119098439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).