N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide

C15H17N3OS — CID 110862156

IUPACN-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cncs1
InChIInChI=1S/C15H17N3OS/c19-15(14-10-16-11-20-14)17-12-4-6-13(7-5-12)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,17,19)
InChIKeyMXHYAYVWHPGJFL-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.39
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide

N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 110862156) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID110862156
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cncs1
InChIInChI=1S/C15H17N3OS/c19-15(14-10-16-11-20-14)17-12-4-6-13(7-5-12)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,17,19)
InChIKeyMXHYAYVWHPGJFL-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
CID 78948690
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 44588938

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (CID 110862156) is N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cncs1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MXHYAYVWHPGJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(14-10-16-11-20-14)17-12-4-6-13(7-5-12)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,17,19).
What are the key properties of N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110862156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).