4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide

C13H13FN2OS — CID 68539505

IUPAC4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide
SMILESCCCc1sc(C(N)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2OS/c1-2-3-10-11(16-13(18-10)12(15)17)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H2,15,17)
InChIKeySFYOVMNZJHIWFC-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.00
Rot. Bonds4

About 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide

4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide (PubChem CID 68539505) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide
PubChem CID68539505
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide
SMILESCCCc1sc(C(N)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2OS/c1-2-3-10-11(16-13(18-10)12(15)17)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H2,15,17)
InChIKeySFYOVMNZJHIWFC-UHFFFAOYSA-N
XLogP3.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide (CID 68539505) is 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide is CCCc1sc(C(N)=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide?
The InChIKey is SFYOVMNZJHIWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-2-3-10-11(16-13(18-10)12(15)17)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H2,15,17).
What are the key properties of 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide?
4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68539505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).