N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide

C15H17N7O2S — CID 126810435

IUPACN-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(c3nnc(-c4ccon4)s3)C2)n1
InChIInChI=1S/C15H17N7O2S/c1-16-13(23)11-4-7-22(19-11)10-3-2-6-21(9-10)15-18-17-14(25-15)12-5-8-24-20-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,23)
InChIKeyNXIKTCIHPRMEEU-UHFFFAOYSA-N
MW359.42 g/mol
LogP1.59
Rot. Bonds4

About N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide

N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 126810435) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID126810435
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC NameN-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(c3nnc(-c4ccon4)s3)C2)n1
InChIInChI=1S/C15H17N7O2S/c1-16-13(23)11-4-7-22(19-11)10-3-2-6-21(9-10)15-18-17-14(25-15)12-5-8-24-20-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,23)
InChIKeyNXIKTCIHPRMEEU-UHFFFAOYSA-N
XLogP1.59
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128977516
1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129475784
1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976151
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129473969
N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 136541575
N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129338809
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
3-methyl-1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxylic acid
CID 122052613
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide (CID 126810435) is N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(c3nnc(-c4ccon4)s3)C2)n1.
What is the InChIKey of N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is NXIKTCIHPRMEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2S/c1-16-13(23)11-4-7-22(19-11)10-3-2-6-21(9-10)15-18-17-14(25-15)12-5-8-24-20-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,23).
What are the key properties of N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 126810435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).