1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea

C18H17N3OS — CID 4182966

IUPAC1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESCc1ccc(C)c(-c2csc(NC(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3OS/c1-12-8-9-13(2)15(10-12)16-11-23-18(20-16)21-17(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyJXOMBEFKAWTZGV-UHFFFAOYSA-N
MW323.42 g/mol
LogP5.07
Rot. Bonds3

About 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea

1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 4182966) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID4182966
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESCc1ccc(C)c(-c2csc(NC(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3OS/c1-12-8-9-13(2)15(10-12)16-11-23-18(20-16)21-17(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyJXOMBEFKAWTZGV-UHFFFAOYSA-N
XLogP5.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402812
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
CID 121080421
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
(1S,2S,3R,4S)-3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18390510
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 19197271
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea (CID 4182966) is 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea is Cc1ccc(C)c(-c2csc(NC(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is JXOMBEFKAWTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-8-9-13(2)15(10-12)16-11-23-18(20-16)21-17(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 323.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 4182966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).