4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole

C12H10N4S — CID 58416122

IUPAC4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn[nH]1
InChIInChI=1S/C12H10N4S/c1-8-11(10-4-6-14-16-10)17-12(15-8)9-3-2-5-13-7-9/h2-7H,1H3,(H,14,16)
InChIKeyGSJXMCPUNXZEJK-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.90
Rot. Bonds2

About 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole

4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416122) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416122
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn[nH]1
InChIInChI=1S/C12H10N4S/c1-8-11(10-4-6-14-16-10)17-12(15-8)9-3-2-5-13-7-9/h2-7H,1H3,(H,14,16)
InChIKeyGSJXMCPUNXZEJK-UHFFFAOYSA-N
XLogP2.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole (CID 58416122) is 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccn[nH]1.
What is the InChIKey of 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is GSJXMCPUNXZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-8-11(10-4-6-14-16-10)17-12(15-8)9-3-2-5-13-7-9/h2-7H,1H3,(H,14,16).
What are the key properties of 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole?
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 242.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).