N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C15H16FN3OS — CID 87405192

IUPACN-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncc(-c2cccc(F)c2)s1)C1CCNCC1
InChIInChI=1S/C15H16FN3OS/c16-12-3-1-2-11(8-12)13-9-18-15(21-13)19-14(20)10-4-6-17-7-5-10/h1-3,8-10,17H,4-7H2,(H,18,19,20)
InChIKeyKVOHNBKEEDACOI-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.89
Rot. Bonds3

About N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 87405192) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID87405192
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncc(-c2cccc(F)c2)s1)C1CCNCC1
InChIInChI=1S/C15H16FN3OS/c16-12-3-1-2-11(8-12)13-9-18-15(21-13)19-14(20)10-4-6-17-7-5-10/h1-3,8-10,17H,4-7H2,(H,18,19,20)
InChIKeyKVOHNBKEEDACOI-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 87405192) is N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1ncc(-c2cccc(F)c2)s1)C1CCNCC1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is KVOHNBKEEDACOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-12-3-1-2-11(8-12)13-9-18-15(21-13)19-14(20)10-4-6-17-7-5-10/h1-3,8-10,17H,4-7H2,(H,18,19,20).
What are the key properties of N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 87405192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).