N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

C16H25Cl2N5OS — CID 120941226

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1(n2cccn2)CCNCC1)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C16H23N5OS.2ClH/c1-3-13(14-19-12(2)11-23-14)20-15(22)16(5-8-17-9-6-16)21-10-4-7-18-21;;/h4,7,10-11,13,17H,3,5-6,8-9H2,1-2H3,(H,20,22);2*1H
InChIKeyMEIOHRVSOIYHPU-UHFFFAOYSA-N
MW406.38 g/mol
LogP2.84
Rot. Bonds5

About N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120941226) has the molecular formula C16H25Cl2N5OS and a molecular weight of 406.38 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120941226
Molecular FormulaC16H25Cl2N5OS
Molecular Weight406.38 g/mol
Exact Mass405.12
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1(n2cccn2)CCNCC1)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C16H23N5OS.2ClH/c1-3-13(14-19-12(2)11-23-14)20-15(22)16(5-8-17-9-6-16)21-10-4-7-18-21;;/h4,7,10-11,13,17H,3,5-6,8-9H2,1-2H3,(H,20,22);2*1H
InChIKeyMEIOHRVSOIYHPU-UHFFFAOYSA-N
XLogP2.84
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931761
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926238
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919934
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941211
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931578
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934852
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120941226) is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is CCC(NC(=O)C1(n2cccn2)CCNCC1)c1nc(C)cs1.Cl.Cl.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is MEIOHRVSOIYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS.2ClH/c1-3-13(14-19-12(2)11-23-14)20-15(22)16(5-8-17-9-6-16)21-10-4-7-18-21;;/h4,7,10-11,13,17H,3,5-6,8-9H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 406.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120941226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).