5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide

C8H7N3OS2 — CID 88882435

IUPAC5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nccs2)s1
InChIInChI=1S/C8H7N3OS2/c1-5-4-10-7(14-5)6(12)11-8-9-2-3-13-8/h2-4H,1H3,(H,9,11,12)
InChIKeyCKQLEJSLJPBIPO-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.16
Rot. Bonds2

About 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide

5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 88882435) has the molecular formula C8H7N3OS2 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID88882435
Molecular FormulaC8H7N3OS2
Molecular Weight225.30 g/mol
Exact Mass225.00
IUPAC Name5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nccs2)s1
InChIInChI=1S/C8H7N3OS2/c1-5-4-10-7(14-5)6(12)11-8-9-2-3-13-8/h2-4H,1H3,(H,9,11,12)
InChIKeyCKQLEJSLJPBIPO-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide (CID 88882435) is 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)Nc2nccs2)s1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is CKQLEJSLJPBIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS2/c1-5-4-10-7(14-5)6(12)11-8-9-2-3-13-8/h2-4H,1H3,(H,9,11,12).
What are the key properties of 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide?
5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 88882435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).