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

C18H20N4OS — CID 658217

IUPAC1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea
SMILESCc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1
InChIInChI=1S/C18H20N4OS/c1-13-8-7-11-19-15(13)22(17-20-12-18(2,3)24-17)16(23)21-14-9-5-4-6-10-14/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyAJNJBGBVWVCWBF-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.31
Rot. Bonds2

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

1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea (PubChem CID 658217) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea
PubChem CID658217
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea
SMILESCc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1
InChIInChI=1S/C18H20N4OS/c1-13-8-7-11-19-15(13)22(17-20-12-18(2,3)24-17)16(23)21-14-9-5-4-6-10-14/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyAJNJBGBVWVCWBF-UHFFFAOYSA-N
XLogP4.31
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea (CID 658217) is 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea is Cc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1.
What is the InChIKey of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea?
The InChIKey is AJNJBGBVWVCWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-8-7-11-19-15(13)22(17-20-12-18(2,3)24-17)16(23)21-14-9-5-4-6-10-14/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea?
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea has a molecular weight of 340.45 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)-3-phenylurea is sourced from PubChem (CID 658217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).