N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C17H19FN2OS — CID 16674468

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2(c3ccc(F)cc3)CCCC2)s1
InChIInChI=1S/C17H19FN2OS/c1-11-15(22-12(2)19-11)16(21)20-17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyAFCISVZDTZYDQX-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.10
Rot. Bonds3

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

N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 16674468) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID16674468
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2(c3ccc(F)cc3)CCCC2)s1
InChIInChI=1S/C17H19FN2OS/c1-11-15(22-12(2)19-11)16(21)20-17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyAFCISVZDTZYDQX-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 16674468) is N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2(c3ccc(F)cc3)CCCC2)s1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is AFCISVZDTZYDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-11-15(22-12(2)19-11)16(21)20-17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16674468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).