N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C14H20N6OS — CID 154760637

IUPACN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCc1nc(C)c(NC(=O)N2CCC(c3n[nH]c(C)n3)C2)s1
InChIInChI=1S/C14H20N6OS/c1-4-11-15-8(2)13(22-11)17-14(21)20-6-5-10(7-20)12-16-9(3)18-19-12/h10H,4-7H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyCAOKZVZJQZEKAI-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.46
Rot. Bonds3

About N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 154760637) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID154760637
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCc1nc(C)c(NC(=O)N2CCC(c3n[nH]c(C)n3)C2)s1
InChIInChI=1S/C14H20N6OS/c1-4-11-15-8(2)13(22-11)17-14(21)20-6-5-10(7-20)12-16-9(3)18-19-12/h10H,4-7H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyCAOKZVZJQZEKAI-UHFFFAOYSA-N
XLogP2.46
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154868509
(3S)-N-(1,3-benzothiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
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3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide
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CID 97321206
N-(3-chlorophenyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
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(3-hydroxy-4-methylphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128740804
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168
(1-hydroxycyclopentyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 111565424
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 154760637) is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is CCc1nc(C)c(NC(=O)N2CCC(c3n[nH]c(C)n3)C2)s1.
What is the InChIKey of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is CAOKZVZJQZEKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-4-11-15-8(2)13(22-11)17-14(21)20-6-5-10(7-20)12-16-9(3)18-19-12/h10H,4-7H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154760637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).