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

C16H16ClN5O2S — CID 121078346

IUPAC1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea
SMILESCn1c(-c2cccs2)nn(CCNC(=O)Nc2ccccc2Cl)c1=O
InChIInChI=1S/C16H16ClN5O2S/c1-21-14(13-7-4-10-25-13)20-22(16(21)24)9-8-18-15(23)19-12-6-3-2-5-11(12)17/h2-7,10H,8-9H2,1H3,(H2,18,19,23)
InChIKeyUSPCOOBUCGOPNF-UHFFFAOYSA-N
MW377.86 g/mol
LogP2.79
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea (PubChem CID 121078346) has the molecular formula C16H16ClN5O2S and a molecular weight of 377.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea
PubChem CID121078346
Molecular FormulaC16H16ClN5O2S
Molecular Weight377.86 g/mol
Exact Mass377.07
IUPAC Name1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea
SMILESCn1c(-c2cccs2)nn(CCNC(=O)Nc2ccccc2Cl)c1=O
InChIInChI=1S/C16H16ClN5O2S/c1-21-14(13-7-4-10-25-13)20-22(16(21)24)9-8-18-15(23)19-12-6-3-2-5-11(12)17/h2-7,10H,8-9H2,1H3,(H2,18,19,23)
InChIKeyUSPCOOBUCGOPNF-UHFFFAOYSA-N
XLogP2.79
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078301
1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 90541851
N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenylprop-2-enamide
CID 71961233
1-(3-chlorophenyl)-3-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 90541818
1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278171
1-(2-chlorophenyl)-3-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]urea
CID 121078224
1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-propan-2-ylurea
CID 90541844
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121078344
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 90541798
1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 122244565
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(2-chlorophenyl)urea
CID 40722863
2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 71793328

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea (CID 121078346) is 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea is Cn1c(-c2cccs2)nn(CCNC(=O)Nc2ccccc2Cl)c1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea?
The InChIKey is USPCOOBUCGOPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S/c1-21-14(13-7-4-10-25-13)20-22(16(21)24)9-8-18-15(23)19-12-6-3-2-5-11(12)17/h2-7,10H,8-9H2,1H3,(H2,18,19,23).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea has a molecular weight of 377.86 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea is sourced from PubChem (CID 121078346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).