1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C11H16N6OS — CID 46985118

IUPAC1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCCc1nc(NC(=O)NCCc2cscn2)nn1C
InChIInChI=1S/C11H16N6OS/c1-3-9-14-10(16-17(9)2)15-11(18)12-5-4-8-6-19-7-13-8/h6-7H,3-5H2,1-2H3,(H2,12,15,16,18)
InChIKeyMXRFLQJWEWVHHC-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.20
Rot. Bonds5

About 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea

1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 46985118) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID46985118
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCCc1nc(NC(=O)NCCc2cscn2)nn1C
InChIInChI=1S/C11H16N6OS/c1-3-9-14-10(16-17(9)2)15-11(18)12-5-4-8-6-19-7-13-8/h6-7H,3-5H2,1-2H3,(H2,12,15,16,18)
InChIKeyMXRFLQJWEWVHHC-UHFFFAOYSA-N
XLogP1.20
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
4-bromo-1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 63825722
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
(2S)-2-hydroxy-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 107840016
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 75432219
1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731914
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432221
5-fluoro-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 63825763
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 46985118) is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is CCc1nc(NC(=O)NCCc2cscn2)nn1C.
What is the InChIKey of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is MXRFLQJWEWVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-3-9-14-10(16-17(9)2)15-11(18)12-5-4-8-6-19-7-13-8/h6-7H,3-5H2,1-2H3,(H2,12,15,16,18).
What are the key properties of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 280.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 46985118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).