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

C11H12N2OS2 — CID 3238025

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nc(CCNC(=O)c2cccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-8-13-9(7-16-8)4-5-12-11(14)10-3-2-6-15-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyKONWCYCHGXIHGU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.49
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 3238025) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID3238025
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nc(CCNC(=O)c2cccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-8-13-9(7-16-8)4-5-12-11(14)10-3-2-6-15-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyKONWCYCHGXIHGU-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (CID 3238025) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is Cc1nc(CCNC(=O)c2cccs2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KONWCYCHGXIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-8-13-9(7-16-8)4-5-12-11(14)10-3-2-6-15-10/h2-3,6-7H,4-5H2,1H3,(H,12,14).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3238025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).