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

C15H16N6OS — CID 86800621

IUPAC1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NCCc2nccs2)c1
InChIInChI=1S/C15H16N6OS/c1-11-2-5-16-13(10-11)21-12(3-7-19-21)20-15(22)18-6-4-14-17-8-9-23-14/h2-3,5,7-10H,4,6H2,1H3,(H2,18,20,22)
InChIKeyCOVVTLLUYAYSPA-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.40
Rot. Bonds5

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

1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 86800621) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID86800621
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NCCc2nccs2)c1
InChIInChI=1S/C15H16N6OS/c1-11-2-5-16-13(10-11)21-12(3-7-19-21)20-15(22)18-6-4-14-17-8-9-23-14/h2-3,5,7-10H,4,6H2,1H3,(H2,18,20,22)
InChIKeyCOVVTLLUYAYSPA-UHFFFAOYSA-N
XLogP2.40
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 86800621) is 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea is Cc1ccnc(-n2nccc2NC(=O)NCCc2nccs2)c1.
What is the InChIKey of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is COVVTLLUYAYSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-11-2-5-16-13(10-11)21-12(3-7-19-21)20-15(22)18-6-4-14-17-8-9-23-14/h2-3,5,7-10H,4,6H2,1H3,(H2,18,20,22).
What are the key properties of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 328.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 86800621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).