1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

C18H17Cl2N3O2S — CID 2969605

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(Cl)cc1N(C(=O)Nc1cccc(Cl)c1)C1=NCC(C)S1
InChIInChI=1S/C18H17Cl2N3O2S/c1-11-10-21-18(26-11)23(15-9-13(20)6-7-16(15)25-2)17(24)22-14-5-3-4-12(19)8-14/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyNOQRUQMNJZGEJT-UHFFFAOYSA-N
MW410.33 g/mol
LogP5.53
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 2969605) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID2969605
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(Cl)cc1N(C(=O)Nc1cccc(Cl)c1)C1=NCC(C)S1
InChIInChI=1S/C18H17Cl2N3O2S/c1-11-10-21-18(26-11)23(15-9-13(20)6-7-16(15)25-2)17(24)22-14-5-3-4-12(19)8-14/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyNOQRUQMNJZGEJT-UHFFFAOYSA-N
XLogP5.53
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.33
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-N'-cyclohexylurea
CID 742626
N-(5-Chloro-2-methoxyphenyl)-N'-(3-chlorophenyl)urea
CID 3753055
N-(5-chloro-2-methoxyphenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2081648
3-(4-Chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea
CID 2345404
3-(4-Chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 4048786
N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4096501
3-(3-Chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 5092626
N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
CID 11948743
2-[[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 135468407
N-butyl-2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetamide
CID 135519493
N-(5-chloro-2-methoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 971970
3-(5-Chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one
CID 1374506

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CID 2969605) is 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is COc1ccc(Cl)cc1N(C(=O)Nc1cccc(Cl)c1)C1=NCC(C)S1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is NOQRUQMNJZGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-11-10-21-18(26-11)23(15-9-13(20)6-7-16(15)25-2)17(24)22-14-5-3-4-12(19)8-14/h3-9,11H,10H2,1-2H3,(H,22,24).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 410.33 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 2969605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).