1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea

C18H19N3OS — CID 657857

IUPAC1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea
SMILESCc1ccc(NC(=O)N(C2=NCC(C)S2)c2ccccc2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-8-10-15(11-9-13)20-17(22)21(16-6-4-3-5-7-16)18-19-12-14(2)23-18/h3-11,14H,12H2,1-2H3,(H,20,22)
InChIKeyGUKJNAXGWLHPAH-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.52
Rot. Bonds2

About 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea

1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea (PubChem CID 657857) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea.

Molecular Properties

Compound Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea
PubChem CID657857
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea
SMILESCc1ccc(NC(=O)N(C2=NCC(C)S2)c2ccccc2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-8-10-15(11-9-13)20-17(22)21(16-6-4-3-5-7-16)18-19-12-14(2)23-18/h3-11,14H,12H2,1-2H3,(H,20,22)
InChIKeyGUKJNAXGWLHPAH-UHFFFAOYSA-N
XLogP4.52
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea?
The IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea (CID 657857) is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea.
What is the SMILES notation for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea?
The canonical SMILES for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea is Cc1ccc(NC(=O)N(C2=NCC(C)S2)c2ccccc2)cc1.
What is the InChIKey of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea?
The InChIKey is GUKJNAXGWLHPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-8-10-15(11-9-13)20-17(22)21(16-6-4-3-5-7-16)18-19-12-14(2)23-18/h3-11,14H,12H2,1-2H3,(H,20,22).
What are the key properties of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea?
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea has a molecular weight of 325.44 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)-1-phenylurea is sourced from PubChem (CID 657857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).