1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

C11H11ClN4OS — CID 22430369

IUPAC1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN4OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H2,13,14,16,17)
InChIKeyJBDSVCRLMCAPCK-UHFFFAOYSA-N
MW282.76 g/mol
LogP3.40
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 22430369) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID22430369
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN4OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H2,13,14,16,17)
InChIKeyJBDSVCRLMCAPCK-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
2-chloro-4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoic acid
CID 107642603
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea
CID 50744730
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-fluorobenzoic acid
CID 107642588
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 1335381
2-(3,4-dichlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1247271
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (CID 22430369) is 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is CCc1nnc(NC(=O)Nc2ccccc2Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is JBDSVCRLMCAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H2,13,14,16,17).
What are the key properties of 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 282.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 22430369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).