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

C9H8N2OS2 — CID 786375

IUPACN-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C9H8N2OS2/c1-6-5-14-9(10-6)11-8(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12)
InChIKeyMGGXMIGZPZPTLX-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.77
Rot. Bonds2

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

N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 786375) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID786375
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C9H8N2OS2/c1-6-5-14-9(10-6)11-8(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12)
InChIKeyMGGXMIGZPZPTLX-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 786375) is N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is Cc1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is MGGXMIGZPZPTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-6-5-14-9(10-6)11-8(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 786375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).