1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea

C16H17N5O2S — CID 71855707

IUPAC1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1c(NC(=O)Nc2ncc(-c3ccccc3)s2)c(C)nn1C
InChIInChI=1S/C16H17N5O2S/c1-10-13(14(23-3)21(2)20-10)18-15(22)19-16-17-9-12(24-16)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,17,18,19,22)
InChIKeyKSOWXBNRLIIWBS-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.50
Rot. Bonds4

About 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea

1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 71855707) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID71855707
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1c(NC(=O)Nc2ncc(-c3ccccc3)s2)c(C)nn1C
InChIInChI=1S/C16H17N5O2S/c1-10-13(14(23-3)21(2)20-10)18-15(22)19-16-17-9-12(24-16)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,17,18,19,22)
InChIKeyKSOWXBNRLIIWBS-UHFFFAOYSA-N
XLogP3.50
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-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-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea (CID 71855707) is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea is COc1c(NC(=O)Nc2ncc(-c3ccccc3)s2)c(C)nn1C.
What is the InChIKey of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is KSOWXBNRLIIWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-13(14(23-3)21(2)20-10)18-15(22)19-16-17-9-12(24-16)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,17,18,19,22).
What are the key properties of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea?
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 343.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71855707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).