N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C15H16FN3OS — CID 69167148

IUPACN-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(N2CCCCC2)s1
InChIInChI=1S/C15H16FN3OS/c16-11-4-6-12(7-5-11)18-14(20)13-10-17-15(21-13)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,18,20)
InChIKeyUSOQQSBCZGHVCN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.52
Rot. Bonds3

About N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 69167148) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID69167148
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(N2CCCCC2)s1
InChIInChI=1S/C15H16FN3OS/c16-11-4-6-12(7-5-11)18-14(20)13-10-17-15(21-13)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,18,20)
InChIKeyUSOQQSBCZGHVCN-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (CID 69167148) is N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cnc(N2CCCCC2)s1.
What is the InChIKey of N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is USOQQSBCZGHVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-4-6-12(7-5-11)18-14(20)13-10-17-15(21-13)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 69167148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).