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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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).