1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

C16H11Cl2N3OS — CID 978585

IUPAC1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-7-6-11(8-13(12)18)19-15(22)21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
InChIKeyKBVSQSKLMDSKEE-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.76
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 978585) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID978585
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-7-6-11(8-13(12)18)19-15(22)21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
InChIKeyKBVSQSKLMDSKEE-UHFFFAOYSA-N
XLogP5.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
CID 157411680
1-(3-chloro-4-fluorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 21008676
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 17217807
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 978585) is 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is KBVSQSKLMDSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-12-7-6-11(8-13(12)18)19-15(22)21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 364.26 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 978585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).