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

C14H14N2OS — CID 8534185

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CC3)cc2)cs1
InChIInChI=1S/C14H14N2OS/c1-9-15-13(8-18-9)10-4-6-12(7-5-10)16-14(17)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,16,17)
InChIKeyZENDCDLUQVTGEL-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.47
Rot. Bonds3

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide (PubChem CID 8534185) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
PubChem CID8534185
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CC3)cc2)cs1
InChIInChI=1S/C14H14N2OS/c1-9-15-13(8-18-9)10-4-6-12(7-5-10)16-14(17)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,16,17)
InChIKeyZENDCDLUQVTGEL-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide (CID 8534185) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide is Cc1nc(-c2ccc(NC(=O)C3CC3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is ZENDCDLUQVTGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-15-13(8-18-9)10-4-6-12(7-5-10)16-14(17)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 8534185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).