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

C14H12N4O2S — CID 87406734

IUPAC1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccco1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C14H12N4O2S/c19-13(16-8-11-2-1-7-20-11)18-14-17-12(9-21-14)10-3-5-15-6-4-10/h1-7,9H,8H2,(H2,16,17,18,19)
InChIKeyZYXOXCBSHVVLRB-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.12
Rot. Bonds4

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

1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87406734) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87406734
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccco1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C14H12N4O2S/c19-13(16-8-11-2-1-7-20-11)18-14-17-12(9-21-14)10-3-5-15-6-4-10/h1-7,9H,8H2,(H2,16,17,18,19)
InChIKeyZYXOXCBSHVVLRB-UHFFFAOYSA-N
XLogP3.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87406734) is 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(NCc1ccco1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is ZYXOXCBSHVVLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-13(16-8-11-2-1-7-20-11)18-14-17-12(9-21-14)10-3-5-15-6-4-10/h1-7,9H,8H2,(H2,16,17,18,19).
What are the key properties of 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 300.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87406734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).