3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea

C18H18ClN3O3S — CID 2346874

IUPAC3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCS2)c1
InChIInChI=1S/C18H18ClN3O3S/c1-24-14-7-8-16(25-2)15(11-14)22(18-20-9-10-26-18)17(23)21-13-5-3-12(19)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyUREBHOUXGDLCHT-UHFFFAOYSA-N
MW391.88 g/mol
LogP4.50
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea

3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea (PubChem CID 2346874) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea
PubChem CID2346874
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCS2)c1
InChIInChI=1S/C18H18ClN3O3S/c1-24-14-7-8-16(25-2)15(11-14)22(18-20-9-10-26-18)17(23)21-13-5-3-12(19)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,21,23)
InChIKeyUREBHOUXGDLCHT-UHFFFAOYSA-N
XLogP4.50
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 696316
3-(4-Chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea
CID 2345404
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2346391
3-(4-Chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 4048786
3-(3-Chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 5092626
4-[(2-chloroacetyl)amino]-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 166629049
N-(4-chlorophenyl)-N'-(2,5-dimethoxyphenyl)urea
CID 730467
N-(5-chloro-2-methoxyphenyl)-N'-(3-chlorophenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 2969605
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 44453038
3-(4-Chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 4236059
N-(4-chlorophenyl)-2-{[4-hydroxy-1-(2-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}acetamide
CID 135436002
N-(2,5-dimethoxyphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
CID 135885664

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea (CID 2346874) is 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCS2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea?
The InChIKey is UREBHOUXGDLCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-24-14-7-8-16(25-2)15(11-14)22(18-20-9-10-26-18)17(23)21-13-5-3-12(19)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea?
3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea has a molecular weight of 391.88 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 2346874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).