1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C16H18N6OS — CID 75432200

IUPAC1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCc2cscn2)n(Cc2ccccn2)n1
InChIInChI=1S/C16H18N6OS/c1-12-8-15(22(21-12)9-13-4-2-3-6-17-13)20-16(23)18-7-5-14-10-24-11-19-14/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,18,20,23)
InChIKeyGUBNRDHAILXCPD-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.46
Rot. Bonds6

About 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea

1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 75432200) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID75432200
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCc2cscn2)n(Cc2ccccn2)n1
InChIInChI=1S/C16H18N6OS/c1-12-8-15(22(21-12)9-13-4-2-3-6-17-13)20-16(23)18-7-5-14-10-24-11-19-14/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,18,20,23)
InChIKeyGUBNRDHAILXCPD-UHFFFAOYSA-N
XLogP2.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 75432200) is 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea is Cc1cc(NC(=O)NCCc2cscn2)n(Cc2ccccn2)n1.
What is the InChIKey of 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is GUBNRDHAILXCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-12-8-15(22(21-12)9-13-4-2-3-6-17-13)20-16(23)18-7-5-14-10-24-11-19-14/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,18,20,23).
What are the key properties of 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 342.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 75432200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).