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

C18H15N5S — CID 58416132

IUPAC4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(Cc2ccccn2)n1
InChIInChI=1S/C18H15N5S/c1-13-17(24-18(21-13)14-5-4-8-19-11-14)16-7-10-23(22-16)12-15-6-2-3-9-20-15/h2-11H,12H2,1H3
InChIKeyCTDOGOXYPXNMSO-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.82
Rot. Bonds4

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

4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 58416132) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
PubChem CID58416132
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(Cc2ccccn2)n1
InChIInChI=1S/C18H15N5S/c1-13-17(24-18(21-13)14-5-4-8-19-11-14)16-7-10-23(22-16)12-15-6-2-3-9-20-15/h2-11H,12H2,1H3
InChIKeyCTDOGOXYPXNMSO-UHFFFAOYSA-N
XLogP3.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole (CID 58416132) is 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccn(Cc2ccccn2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is CTDOGOXYPXNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-13-17(24-18(21-13)14-5-4-8-19-11-14)16-7-10-23(22-16)12-15-6-2-3-9-20-15/h2-11H,12H2,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 333.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 58416132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).