N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

C12H17N5OS2 — CID 45200826

IUPACN-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCSc1nnc(C(C)NC(=O)c2csc(C)n2)n1C
InChIInChI=1S/C12H17N5OS2/c1-5-19-12-16-15-10(17(12)4)7(2)13-11(18)9-6-20-8(3)14-9/h6-7H,5H2,1-4H3,(H,13,18)
InChIKeyDEFVMYJDWIADGI-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.18
Rot. Bonds5

About N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 45200826) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID45200826
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC NameN-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCSc1nnc(C(C)NC(=O)c2csc(C)n2)n1C
InChIInChI=1S/C12H17N5OS2/c1-5-19-12-16-15-10(17(12)4)7(2)13-11(18)9-6-20-8(3)14-9/h6-7H,5H2,1-4H3,(H,13,18)
InChIKeyDEFVMYJDWIADGI-UHFFFAOYSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methoxybenzamide
CID 45167412
N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylbenzamide
CID 42433946
N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide
CID 45211869
N-[1-[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 45233639
(E)-N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 26278243
N-[(1S)-1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 7394647
N-[(1S)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 97454387
2-fluoro-N-[1-[4-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 3383377
2-[[5-[(1R)-1-benzamidoethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 95795012
N-[(1R)-1-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126135949
1-(4-chlorophenyl)-N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 42163862
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 45200826) is N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is CCSc1nnc(C(C)NC(=O)c2csc(C)n2)n1C.
What is the InChIKey of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DEFVMYJDWIADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-5-19-12-16-15-10(17(12)4)7(2)13-11(18)9-6-20-8(3)14-9/h6-7H,5H2,1-4H3,(H,13,18).
What are the key properties of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 311.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45200826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).