1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

C16H14N4OS — CID 53492329

IUPAC1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H14N4OS/c21-15(18-10-12-4-2-1-3-5-12)20-16-19-14(11-22-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H2,18,19,20,21)
InChIKeyVOAQKUJLXWZMLR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.53
Rot. Bonds4

About 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 53492329) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID53492329
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H14N4OS/c21-15(18-10-12-4-2-1-3-5-12)20-16-19-14(11-22-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H2,18,19,20,21)
InChIKeyVOAQKUJLXWZMLR-UHFFFAOYSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)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

Stf-62247
CID 704473
Thiazovivin
CID 46209426
N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 564741
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 53492329) is 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(NCc1ccccc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is VOAQKUJLXWZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(18-10-12-4-2-1-3-5-12)20-16-19-14(11-22-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H2,18,19,20,21).
What are the key properties of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 310.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 53492329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).