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

C21H17N5S — CID 143925389

IUPAC5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESC#CC(C)c1cccnc1-n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C21H17N5S/c1-4-14(2)17-8-6-11-23-20(17)26-12-9-18(25-26)19-15(3)24-21(27-19)16-7-5-10-22-13-16/h1,5-14H,2-3H3
InChIKeySBROIPWPDAITDO-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.50
Rot. Bonds4

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

5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 143925389) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID143925389
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC Name5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESC#CC(C)c1cccnc1-n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C21H17N5S/c1-4-14(2)17-8-6-11-23-20(17)26-12-9-18(25-26)19-15(3)24-21(27-19)16-7-5-10-22-13-16/h1,5-14H,2-3H3
InChIKeySBROIPWPDAITDO-UHFFFAOYSA-N
XLogP4.50
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole
CID 58416084
N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 58416174
4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole
CID 123454399
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide
CID 58416221
N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 58416117
3-methyl-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazolo[5,4-b]pyridine-1-carboxamide
CID 123417106
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
2-(4-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416158

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 143925389) is 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is C#CC(C)c1cccnc1-n1ccc(-c2sc(-c3cccnc3)nc2C)n1.
What is the InChIKey of 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is SBROIPWPDAITDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-4-14(2)17-8-6-11-23-20(17)26-12-9-18(25-26)19-15(3)24-21(27-19)16-7-5-10-22-13-16/h1,5-14H,2-3H3.
What are the key properties of 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 371.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 143925389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).