1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea

C11H10BrClN4O3S — CID 10046114

IUPAC1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2nnc(Br)s2)cc1Cl
InChIInChI=1S/C11H10BrClN4O3S/c1-19-7-4-8(20-2)6(3-5(7)13)14-10(18)15-11-17-16-9(12)21-11/h3-4H,1-2H3,(H2,14,15,17,18)
InChIKeyBOLHGVDWUKUFBO-UHFFFAOYSA-N
MW393.65 g/mol
LogP3.62
Rot. Bonds4

About 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea

1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea (PubChem CID 10046114) has the molecular formula C11H10BrClN4O3S and a molecular weight of 393.65 g/mol. Its IUPAC name is 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
PubChem CID10046114
Molecular FormulaC11H10BrClN4O3S
Molecular Weight393.65 g/mol
Exact Mass391.93
IUPAC Name1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2nnc(Br)s2)cc1Cl
InChIInChI=1S/C11H10BrClN4O3S/c1-19-7-4-8(20-2)6(3-5(7)13)14-10(18)15-11-17-16-9(12)21-11/h3-4H,1-2H3,(H2,14,15,17,18)
InChIKeyBOLHGVDWUKUFBO-UHFFFAOYSA-N
XLogP3.62
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 11246047
1-(5-bromo-2,4-dimethoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 11406150
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46381141
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 10336896
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea (CID 10046114) is 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea is COc1cc(OC)c(NC(=O)Nc2nnc(Br)s2)cc1Cl.
What is the InChIKey of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The InChIKey is BOLHGVDWUKUFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O3S/c1-19-7-4-8(20-2)6(3-5(7)13)14-10(18)15-11-17-16-9(12)21-11/h3-4H,1-2H3,(H2,14,15,17,18).
What are the key properties of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea has a molecular weight of 393.65 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 10046114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).