N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C15H21ClN6O2S2 — CID 120924970

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2(n3cccn3)CCNCC2)sc1SCC(N)=O.Cl
InChIInChI=1S/C15H20N6O2S2.ClH/c1-10-12(24-9-11(16)22)25-14(19-10)20-13(23)15(3-6-17-7-4-15)21-8-2-5-18-21;/h2,5,8,17H,3-4,6-7,9H2,1H3,(H2,16,22)(H,19,20,23);1H
InChIKeyWAOSDVPTANKJPG-UHFFFAOYSA-N
MW416.96 g/mol
LogP1.36
Rot. Bonds6

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120924970) has the molecular formula C15H21ClN6O2S2 and a molecular weight of 416.96 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120924970
Molecular FormulaC15H21ClN6O2S2
Molecular Weight416.96 g/mol
Exact Mass416.09
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2(n3cccn3)CCNCC2)sc1SCC(N)=O.Cl
InChIInChI=1S/C15H20N6O2S2.ClH/c1-10-12(24-9-11(16)22)25-14(19-10)20-13(23)15(3-6-17-7-4-15)21-8-2-5-18-21;/h2,5,8,17H,3-4,6-7,9H2,1H3,(H2,16,22)(H,19,20,23);1H
InChIKeyWAOSDVPTANKJPG-UHFFFAOYSA-N
XLogP1.36
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.96
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120924970) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1nc(NC(=O)C2(n3cccn3)CCNCC2)sc1SCC(N)=O.Cl.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is WAOSDVPTANKJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S2.ClH/c1-10-12(24-9-11(16)22)25-14(19-10)20-13(23)15(3-6-17-7-4-15)21-8-2-5-18-21;/h2,5,8,17H,3-4,6-7,9H2,1H3,(H2,16,22)(H,19,20,23);1H.
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 416.96 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120924970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).