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

C16H17N5O2S — CID 71859573

IUPAC1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOc1c(NC(=O)Nc2ccc(-c3nccs3)cc2)c(C)nn1C
InChIInChI=1S/C16H17N5O2S/c1-10-13(15(23-3)21(2)20-10)19-16(22)18-12-6-4-11(5-7-12)14-17-8-9-24-14/h4-9H,1-3H3,(H2,18,19,22)
InChIKeyIVRFQWLOVVRLAQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.50
Rot. Bonds4

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

1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 71859573) 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-[4-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID71859573
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOc1c(NC(=O)Nc2ccc(-c3nccs3)cc2)c(C)nn1C
InChIInChI=1S/C16H17N5O2S/c1-10-13(15(23-3)21(2)20-10)19-16(22)18-12-6-4-11(5-7-12)14-17-8-9-24-14/h4-9H,1-3H3,(H2,18,19,22)
InChIKeyIVRFQWLOVVRLAQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea (CID 71859573) is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea is COc1c(NC(=O)Nc2ccc(-c3nccs3)cc2)c(C)nn1C.
What is the InChIKey of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is IVRFQWLOVVRLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-13(15(23-3)21(2)20-10)19-16(22)18-12-6-4-11(5-7-12)14-17-8-9-24-14/h4-9H,1-3H3,(H2,18,19,22).
What are the key properties of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]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-[4-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 71859573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).