N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide

C12H12N2OS2 — CID 2738812

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C12H12N2OS2/c15-11(8-3-4-8)13-6-9-7-17-12(14-9)10-2-1-5-16-10/h1-2,5,7-8H,3-4,6H2,(H,13,15)
InChIKeyUIGQYQRWMHDHDA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.90
Rot. Bonds4

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 2738812) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID2738812
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C12H12N2OS2/c15-11(8-3-4-8)13-6-9-7-17-12(14-9)10-2-1-5-16-10/h1-2,5,7-8H,3-4,6H2,(H,13,15)
InChIKeyUIGQYQRWMHDHDA-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide (CID 2738812) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide is O=C(NCc1csc(-c2cccs2)n1)C1CC1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is UIGQYQRWMHDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-11(8-3-4-8)13-6-9-7-17-12(14-9)10-2-1-5-16-10/h1-2,5,7-8H,3-4,6H2,(H,13,15).
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 2738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).