1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea

C16H10Cl2IN3OS — CID 121080352

IUPAC1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C16H10Cl2IN3OS/c17-12-6-5-11(7-13(12)18)20-15(23)22-16-21-14(8-24-16)9-1-3-10(19)4-2-9/h1-8H,(H2,20,21,22,23)
InChIKeyZGJWJMCTTBCCSQ-UHFFFAOYSA-N
MW490.15 g/mol
LogP6.37
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea

1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea (PubChem CID 121080352) has the molecular formula C16H10Cl2IN3OS and a molecular weight of 490.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
PubChem CID121080352
Molecular FormulaC16H10Cl2IN3OS
Molecular Weight490.15 g/mol
Exact Mass488.90
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C16H10Cl2IN3OS/c17-12-6-5-11(7-13(12)18)20-15(23)22-16-21-14(8-24-16)9-1-3-10(19)4-2-9/h1-8H,(H2,20,21,22,23)
InChIKeyZGJWJMCTTBCCSQ-UHFFFAOYSA-N
XLogP6.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.15
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
CID 121080421
1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea
CID 152663942
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618
N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
CID 157411680
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 3880487
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 4078223

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea (CID 121080352) is 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is ZGJWJMCTTBCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2IN3OS/c17-12-6-5-11(7-13(12)18)20-15(23)22-16-21-14(8-24-16)9-1-3-10(19)4-2-9/h1-8H,(H2,20,21,22,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea?
1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 490.15 g/mol, XLogP of 6.37, 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-(4-iodophenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 121080352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).