N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide

C18H25N5OS — CID 138810100

IUPACN-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCN1CCC(N(CCc2ccccn2)C(=O)c2nsnc2C)CC1
InChIInChI=1S/C18H25N5OS/c1-3-22-11-8-16(9-12-22)23(13-7-15-6-4-5-10-19-15)18(24)17-14(2)20-25-21-17/h4-6,10,16H,3,7-9,11-13H2,1-2H3
InChIKeyLNOPWIVDXHTOJY-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.41
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide

N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 138810100) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID138810100
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCN1CCC(N(CCc2ccccn2)C(=O)c2nsnc2C)CC1
InChIInChI=1S/C18H25N5OS/c1-3-22-11-8-16(9-12-22)23(13-7-15-6-4-5-10-19-15)18(24)17-14(2)20-25-21-17/h4-6,10,16H,3,7-9,11-13H2,1-2H3
InChIKeyLNOPWIVDXHTOJY-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide with MolForge

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Related Compounds

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4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid
CID 154870204
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N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
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ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide (CID 138810100) is N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide is CCN1CCC(N(CCc2ccccn2)C(=O)c2nsnc2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is LNOPWIVDXHTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-3-22-11-8-16(9-12-22)23(13-7-15-6-4-5-10-19-15)18(24)17-14(2)20-25-21-17/h4-6,10,16H,3,7-9,11-13H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 138810100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).