N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C8H7N3OS2 — CID 62046328

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2cscn2)s1
InChIInChI=1S/C8H7N3OS2/c1-5-2-9-8(14-5)11-7(12)6-3-13-4-10-6/h2-4H,1H3,(H,9,11,12)
InChIKeyIFJXQISOMUUYHA-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.16
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62046328) has the molecular formula C8H7N3OS2 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID62046328
Molecular FormulaC8H7N3OS2
Molecular Weight225.30 g/mol
Exact Mass225.00
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2cscn2)s1
InChIInChI=1S/C8H7N3OS2/c1-5-2-9-8(14-5)11-7(12)6-3-13-4-10-6/h2-4H,1H3,(H,9,11,12)
InChIKeyIFJXQISOMUUYHA-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 N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 62046328) is N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cnc(NC(=O)c2cscn2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IFJXQISOMUUYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS2/c1-5-2-9-8(14-5)11-7(12)6-3-13-4-10-6/h2-4H,1H3,(H,9,11,12).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-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 N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62046328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).