N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C18H21N7OS — CID 120644231

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H21N7OS/c1-25-18(23-16(24-25)12-4-7-19-8-5-12)22-15(26)9-14-11-27-17(21-14)13-3-2-6-20-10-13/h2-3,6,10-12,19H,4-5,7-9H2,1H3,(H,22,23,24,26)
InChIKeyPQHIZGNJJPTWFE-UHFFFAOYSA-N
MW383.48 g/mol
LogP1.98
Rot. Bonds5

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 120644231) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID120644231
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H21N7OS/c1-25-18(23-16(24-25)12-4-7-19-8-5-12)22-15(26)9-14-11-27-17(21-14)13-3-2-6-20-10-13/h2-3,6,10-12,19H,4-5,7-9H2,1H3,(H,22,23,24,26)
InChIKeyPQHIZGNJJPTWFE-UHFFFAOYSA-N
XLogP1.98
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120643773
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
N-(2-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120601114
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
2-(3-bromo-4-fluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120643814
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120644143
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 120644231) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is Cn1nc(C2CCNCC2)nc1NC(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PQHIZGNJJPTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-25-18(23-16(24-25)12-4-7-19-8-5-12)22-15(26)9-14-11-27-17(21-14)13-3-2-6-20-10-13/h2-3,6,10-12,19H,4-5,7-9H2,1H3,(H,22,23,24,26).
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 383.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 120644231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).