N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

C14H14ClFN2OS — CID 56792433

IUPACN-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)s1
InChIInChI=1S/C14H14ClFN2OS/c1-8(2)18(12-5-4-10(16)6-11(12)15)14(19)13-7-17-9(3)20-13/h4-8H,1-3H3
InChIKeyWXLNQCIOGMHZQR-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.30
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 56792433) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID56792433
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)s1
InChIInChI=1S/C14H14ClFN2OS/c1-8(2)18(12-5-4-10(16)6-11(12)15)14(19)13-7-17-9(3)20-13/h4-8H,1-3H3
InChIKeyWXLNQCIOGMHZQR-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 56792433) is N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)s1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WXLNQCIOGMHZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c1-8(2)18(12-5-4-10(16)6-11(12)15)14(19)13-7-17-9(3)20-13/h4-8H,1-3H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56792433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).