1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea

C17H16N4OS — CID 56823567

IUPAC1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCc1csc(-c2cccc(NC(=O)NCc3ccncc3)c2)n1
InChIInChI=1S/C17H16N4OS/c1-12-11-23-16(20-12)14-3-2-4-15(9-14)21-17(22)19-10-13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H2,19,21,22)
InChIKeyVATAACOVVUVVEV-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.84
Rot. Bonds4

About 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea

1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 56823567) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID56823567
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCc1csc(-c2cccc(NC(=O)NCc3ccncc3)c2)n1
InChIInChI=1S/C17H16N4OS/c1-12-11-23-16(20-12)14-3-2-4-15(9-14)21-17(22)19-10-13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H2,19,21,22)
InChIKeyVATAACOVVUVVEV-UHFFFAOYSA-N
XLogP3.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 111636920
1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 167847893
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
1-(3-aminophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 54962764
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
1-[3-[7-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321119
1-(3-chlorophenyl)-3-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784338
N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide
CID 172895967
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231442

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea (CID 56823567) is 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea is Cc1csc(-c2cccc(NC(=O)NCc3ccncc3)c2)n1.
What is the InChIKey of 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is VATAACOVVUVVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12-11-23-16(20-12)14-3-2-4-15(9-14)21-17(22)19-10-13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H2,19,21,22).
What are the key properties of 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 324.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 56823567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).