1,3-thiazole-5-carboxamide

C4H4N2OS — CID 3018505

IUPAC1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cncs1
InChIInChI=1S/C4H4N2OS/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
InChIKeyGGNIKGLUPSHSBV-UHFFFAOYSA-N
MW128.16 g/mol
LogP0.24
Rot. Bonds1

About 1,3-thiazole-5-carboxamide

1,3-thiazole-5-carboxamide (PubChem CID 3018505) has the molecular formula C4H4N2OS and a molecular weight of 128.16 g/mol. Its IUPAC name is 1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name1,3-thiazole-5-carboxamide
PubChem CID3018505
Molecular FormulaC4H4N2OS
Molecular Weight128.16 g/mol
Exact Mass128.00
IUPAC Name1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cncs1
InChIInChI=1S/C4H4N2OS/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
InChIKeyGGNIKGLUPSHSBV-UHFFFAOYSA-N
XLogP0.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-5-carboxamide?
The IUPAC name of 1,3-thiazole-5-carboxamide (CID 3018505) is 1,3-thiazole-5-carboxamide.
What is the SMILES notation for 1,3-thiazole-5-carboxamide?
The canonical SMILES for 1,3-thiazole-5-carboxamide is NC(=O)c1cncs1.
What is the InChIKey of 1,3-thiazole-5-carboxamide?
The InChIKey is GGNIKGLUPSHSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7).
What are the key properties of 1,3-thiazole-5-carboxamide?
1,3-thiazole-5-carboxamide has a molecular weight of 128.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3018505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).