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

C9H8N2OS2 — CID 69189537

IUPACN-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)c1cncs1
InChIInChI=1S/C9H8N2OS2/c1-11(8-4-10-6-14-8)9(12)7-2-3-13-5-7/h2-6H,1H3
InChIKeyZULUSMUVKMRSQV-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.48
Rot. Bonds2

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

N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide (PubChem CID 69189537) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide
PubChem CID69189537
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC NameN-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)c1cncs1
InChIInChI=1S/C9H8N2OS2/c1-11(8-4-10-6-14-8)9(12)7-2-3-13-5-7/h2-6H,1H3
InChIKeyZULUSMUVKMRSQV-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide (CID 69189537) is N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide is CN(C(=O)c1ccsc1)c1cncs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide?
The InChIKey is ZULUSMUVKMRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-11(8-4-10-6-14-8)9(12)7-2-3-13-5-7/h2-6H,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide?
N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 69189537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).