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

C18H19N3OS — CID 562408

IUPAC1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1
InChIInChI=1S/C18H19N3OS/c1-14-12-19-18(23-14)21(13-15-8-4-2-5-9-15)17(22)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)
InChIKeyQWBDZHAFOLPGSV-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.21
Rot. Bonds3

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

1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 562408) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID562408
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1
InChIInChI=1S/C18H19N3OS/c1-14-12-19-18(23-14)21(13-15-8-4-2-5-9-15)17(22)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)
InChIKeyQWBDZHAFOLPGSV-UHFFFAOYSA-N
XLogP4.21
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (CID 562408) is 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is CC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1.
What is the InChIKey of 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is QWBDZHAFOLPGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-14-12-19-18(23-14)21(13-15-8-4-2-5-9-15)17(22)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 325.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 562408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).