4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C15H18N4OS — CID 116667453

IUPAC4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCCC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N4OS/c16-13-12(14(20)17-11-7-3-1-4-8-11)21-15(18-13)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,16H2,(H,17,20)
InChIKeyRPRKBRYYJIUVHF-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.97
Rot. Bonds3

About 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116667453) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116667453
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCCC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N4OS/c16-13-12(14(20)17-11-7-3-1-4-8-11)21-15(18-13)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,16H2,(H,17,20)
InChIKeyRPRKBRYYJIUVHF-UHFFFAOYSA-N
XLogP2.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-piperidin-1-yl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116667887
4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667439
N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 18859801
4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669998
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667583
2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 42914913
4-amino-N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116671653

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (CID 116667453) is 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is Nc1nc(N2CCCCC2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RPRKBRYYJIUVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-13-12(14(20)17-11-7-3-1-4-8-11)21-15(18-13)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,16H2,(H,17,20).
What are the key properties of 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).