1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea

C17H13Cl2N3OS — CID 121080343

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H13Cl2N3OS/c18-13-5-1-11(2-6-13)9-20-16(23)22-17-21-15(10-24-17)12-3-7-14(19)8-4-12/h1-8,10H,9H2,(H2,20,21,22,23)
InChIKeyGSRIZPBAULZRIK-UHFFFAOYSA-N
MW378.28 g/mol
LogP5.44
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea

1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea (PubChem CID 121080343) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
PubChem CID121080343
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H13Cl2N3OS/c18-13-5-1-11(2-6-13)9-20-16(23)22-17-21-15(10-24-17)12-3-7-14(19)8-4-12/h1-8,10H,9H2,(H2,20,21,22,23)
InChIKeyGSRIZPBAULZRIK-UHFFFAOYSA-N
XLogP5.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
2-(benzylamino)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 43814202
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 24597214
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea (CID 121080343) is 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea is O=C(NCc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is GSRIZPBAULZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c18-13-5-1-11(2-6-13)9-20-16(23)22-17-21-15(10-24-17)12-3-7-14(19)8-4-12/h1-8,10H,9H2,(H2,20,21,22,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 378.28 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 121080343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).