N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide

C19H14ClFN2OS — CID 86891968

IUPACN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cnc(C2CC2)s1
InChIInChI=1S/C19H14ClFN2OS/c20-13-5-3-11(4-6-13)15-9-14(21)7-8-16(15)23-18(24)17-10-22-19(25-17)12-1-2-12/h3-10,12H,1-2H2,(H,23,24)
InChIKeyFMFQZUVNIWSOTL-UHFFFAOYSA-N
MW372.85 g/mol
LogP5.73
Rot. Bonds4

About N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide

N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 86891968) has the molecular formula C19H14ClFN2OS and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID86891968
Molecular FormulaC19H14ClFN2OS
Molecular Weight372.85 g/mol
Exact Mass372.05
IUPAC NameN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cnc(C2CC2)s1
InChIInChI=1S/C19H14ClFN2OS/c20-13-5-3-11(4-6-13)15-9-14(21)7-8-16(15)23-18(24)17-10-22-19(25-17)12-1-2-12/h3-10,12H,1-2H2,(H,23,24)
InChIKeyFMFQZUVNIWSOTL-UHFFFAOYSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide (CID 86891968) is N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cnc(C2CC2)s1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is FMFQZUVNIWSOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2OS/c20-13-5-3-11(4-6-13)15-9-14(21)7-8-16(15)23-18(24)17-10-22-19(25-17)12-1-2-12/h3-10,12H,1-2H2,(H,23,24).
What are the key properties of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86891968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).