N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C26H35N7OS — CID 155512546

IUPACN-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(CCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1
InChIInChI=1S/C26H35N7OS/c1-18-7-8-21(27-17-18)9-10-22-11-14-28-33(22)26-31-30-25(35-26)32-15-12-20(13-16-32)24(34)29-23-6-4-3-5-19(23)2/h7-8,11,14,17,19-20,23H,3-6,9-10,12-13,15-16H2,1-2H3,(H,29,34)
InChIKeyJYZNZGFWMZHQSU-UHFFFAOYSA-N
MW493.68 g/mol
LogP4.12
Rot. Bonds7

About N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 155512546) has the molecular formula C26H35N7OS and a molecular weight of 493.68 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID155512546
Molecular FormulaC26H35N7OS
Molecular Weight493.68 g/mol
Exact Mass493.26
IUPAC NameN-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(CCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1
InChIInChI=1S/C26H35N7OS/c1-18-7-8-21(27-17-18)9-10-22-11-14-28-33(22)26-31-30-25(35-26)32-15-12-20(13-16-32)24(34)29-23-6-4-3-5-19(23)2/h7-8,11,14,17,19-20,23H,3-6,9-10,12-13,15-16H2,1-2H3,(H,29,34)
InChIKeyJYZNZGFWMZHQSU-UHFFFAOYSA-N
XLogP4.12
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 155512546) is N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(CCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is JYZNZGFWMZHQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7OS/c1-18-7-8-21(27-17-18)9-10-22-11-14-28-33(22)26-31-30-25(35-26)32-15-12-20(13-16-32)24(34)29-23-6-4-3-5-19(23)2/h7-8,11,14,17,19-20,23H,3-6,9-10,12-13,15-16H2,1-2H3,(H,29,34).
What are the key properties of N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 493.68 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-1-[5-[5-[2-(5-methyl-2-pyridinyl)ethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 155512546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).