N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C16H23N5OS — CID 120941529

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1nc(C)c(CCNC(=O)C2(n3cccn3)CCNCC2)s1
InChIInChI=1S/C16H23N5OS/c1-12-14(23-13(2)20-12)4-8-18-15(22)16(5-9-17-10-6-16)21-11-3-7-19-21/h3,7,11,17H,4-6,8-10H2,1-2H3,(H,18,22)
InChIKeyCNYHDBPQUDBLCE-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120941529) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120941529
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1nc(C)c(CCNC(=O)C2(n3cccn3)CCNCC2)s1
InChIInChI=1S/C16H23N5OS/c1-12-14(23-13(2)20-12)4-8-18-15(22)16(5-9-17-10-6-16)21-11-3-7-19-21/h3,7,11,17H,4-6,8-10H2,1-2H3,(H,18,22)
InChIKeyCNYHDBPQUDBLCE-UHFFFAOYSA-N
XLogP1.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918387
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937895
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332
N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924924
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120927526

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120941529) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is Cc1nc(C)c(CCNC(=O)C2(n3cccn3)CCNCC2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is CNYHDBPQUDBLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12-14(23-13(2)20-12)4-8-18-15(22)16(5-9-17-10-6-16)21-11-3-7-19-21/h3,7,11,17H,4-6,8-10H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120941529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).