N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

C9H15N5OS — CID 103813840

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)C1CSCN1
InChIInChI=1S/C9H15N5OS/c1-2-14-5-12-13-8(14)3-10-9(15)7-4-16-6-11-7/h5,7,11H,2-4,6H2,1H3,(H,10,15)
InChIKeyIGRZPLZHZDBWBP-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.42
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 103813840) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID103813840
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)C1CSCN1
InChIInChI=1S/C9H15N5OS/c1-2-14-5-12-13-8(14)3-10-9(15)7-4-16-6-11-7/h5,7,11H,2-4,6H2,1H3,(H,10,15)
InChIKeyIGRZPLZHZDBWBP-UHFFFAOYSA-N
XLogP-0.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61004222
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119291914
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106303214
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 103813782
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119891916
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119833853

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 103813840) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is CCn1cnnc1CNC(=O)C1CSCN1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IGRZPLZHZDBWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-2-14-5-12-13-8(14)3-10-9(15)7-4-16-6-11-7/h5,7,11H,2-4,6H2,1H3,(H,10,15).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103813840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).