1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea

C14H8Cl3N3OS2 — CID 2740570

IUPAC1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nc(-c2cc(Cl)c(Cl)s2)cs1
InChIInChI=1S/C14H8Cl3N3OS2/c15-7-1-3-8(4-2-7)18-13(21)20-14-19-10(6-22-14)11-5-9(16)12(17)23-11/h1-6H,(H2,18,19,20,21)
InChIKeyPEEQHDUZHVAHSM-UHFFFAOYSA-N
MW404.73 g/mol
LogP6.48
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea

1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea (PubChem CID 2740570) has the molecular formula C14H8Cl3N3OS2 and a molecular weight of 404.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea
PubChem CID2740570
Molecular FormulaC14H8Cl3N3OS2
Molecular Weight404.73 g/mol
Exact Mass402.92
IUPAC Name1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nc(-c2cc(Cl)c(Cl)s2)cs1
InChIInChI=1S/C14H8Cl3N3OS2/c15-7-1-3-8(4-2-7)18-13(21)20-14-19-10(6-22-14)11-5-9(16)12(17)23-11/h1-6H,(H2,18,19,20,21)
InChIKeyPEEQHDUZHVAHSM-UHFFFAOYSA-N
XLogP6.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.73
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
N-(3-Chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-YL)urea
CID 727855
N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
CID 1123739
N-(3-Chlorophenyl)-N'-[[2-(2-thienyl)-4-thiazolyl]methyl]urea
CID 2738836
N-(4-methylphenyl)-N'-[4-(5-methyl-2-thienyl)-1,3-thiazol-2-yl]urea
CID 1223803
1-(4-Chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 750426
N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1092471
N-(4-chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)urea
CID 727779
1-(3,4-Dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2740553
1-(4-(5-Chlorothiophen-2-yl)thiazol-2-yl)-3-(4-nitrophenyl)urea
CID 4616329
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 5093386

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea (CID 2740570) is 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2cc(Cl)c(Cl)s2)cs1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is PEEQHDUZHVAHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3OS2/c15-7-1-3-8(4-2-7)18-13(21)20-14-19-10(6-22-14)11-5-9(16)12(17)23-11/h1-6H,(H2,18,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea?
1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 404.73 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 2740570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).