N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide

C17H25N7OS — CID 138007267

IUPACN-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)NC2CCC(Nc3nc(C4CCCC4)ns3)CC2)n1
InChIInChI=1S/C17H25N7OS/c1-24-10-18-15(22-24)16(25)19-12-6-8-13(9-7-12)20-17-21-14(23-26-17)11-4-2-3-5-11/h10-13H,2-9H2,1H3,(H,19,25)(H,20,21,23)
InChIKeyUJBAWBYHEYFDLB-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.48
Rot. Bonds5

About N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide

N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 138007267) has the molecular formula C17H25N7OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID138007267
Molecular FormulaC17H25N7OS
Molecular Weight375.50 g/mol
Exact Mass375.18
IUPAC NameN-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)NC2CCC(Nc3nc(C4CCCC4)ns3)CC2)n1
InChIInChI=1S/C17H25N7OS/c1-24-10-18-15(22-24)16(25)19-12-6-8-13(9-7-12)20-17-21-14(23-26-17)11-4-2-3-5-11/h10-13H,2-9H2,1H3,(H,19,25)(H,20,21,23)
InChIKeyUJBAWBYHEYFDLB-UHFFFAOYSA-N
XLogP2.48
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65334094
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
2-[4-[(3-cyclobutyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936118
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 104700593
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide (CID 138007267) is N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide is Cn1cnc(C(=O)NC2CCC(Nc3nc(C4CCCC4)ns3)CC2)n1.
What is the InChIKey of N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is UJBAWBYHEYFDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7OS/c1-24-10-18-15(22-24)16(25)19-12-6-8-13(9-7-12)20-17-21-14(23-26-17)11-4-2-3-5-11/h10-13H,2-9H2,1H3,(H,19,25)(H,20,21,23).
What are the key properties of N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide?
N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 138007267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).