1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea

C19H18ClN3OS — CID 121080465

IUPAC1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(C)c(-c2csc(NC(=O)Nc3ccccc3Cl)n2)c(C)c1
InChIInChI=1S/C19H18ClN3OS/c1-11-8-12(2)17(13(3)9-11)16-10-25-19(22-16)23-18(24)21-15-7-5-4-6-14(15)20/h4-10H,1-3H3,(H2,21,22,23,24)
InChIKeyQQSPQKSLEHLMTG-UHFFFAOYSA-N
MW371.89 g/mol
LogP6.03
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea

1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 121080465) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID121080465
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(C)c(-c2csc(NC(=O)Nc3ccccc3Cl)n2)c(C)c1
InChIInChI=1S/C19H18ClN3OS/c1-11-8-12(2)17(13(3)9-11)16-10-25-19(22-16)23-18(24)21-15-7-5-4-6-14(15)20/h4-10H,1-3H3,(H2,21,22,23,24)
InChIKeyQQSPQKSLEHLMTG-UHFFFAOYSA-N
XLogP6.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
3,4,5,6-tetrachloro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16550206
1-benzyl-5-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 16550193
1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 16952118
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 16550158
1-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide
CID 9022855
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2122558

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea (CID 121080465) is 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea is Cc1cc(C)c(-c2csc(NC(=O)Nc3ccccc3Cl)n2)c(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is QQSPQKSLEHLMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-11-8-12(2)17(13(3)9-11)16-10-25-19(22-16)23-18(24)21-15-7-5-4-6-14(15)20/h4-10H,1-3H3,(H2,21,22,23,24).
What are the key properties of 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea?
1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 371.89 g/mol, XLogP of 6.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 121080465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).