1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea

C19H21N3OS — CID 912993

IUPAC1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC1(C)CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1
InChIInChI=1S/C19H21N3OS/c1-19(2)14-20-18(24-19)22(13-15-9-5-3-6-10-15)17(23)21-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,21,23)
InChIKeyCFYVRWGQGFBSSD-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.60
Rot. Bonds3

About 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea

1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 912993) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID912993
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC1(C)CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1
InChIInChI=1S/C19H21N3OS/c1-19(2)14-20-18(24-19)22(13-15-9-5-3-6-10-15)17(23)21-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,21,23)
InChIKeyCFYVRWGQGFBSSD-UHFFFAOYSA-N
XLogP4.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea (CID 912993) is 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea is CC1(C)CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1.
What is the InChIKey of 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is CFYVRWGQGFBSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-19(2)14-20-18(24-19)22(13-15-9-5-3-6-10-15)17(23)21-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,21,23).
What are the key properties of 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea?
1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 339.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 912993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).