5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole

C17H13N5S — CID 58416038

IUPAC5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole
SMILESCc1cnn(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)c1
InChIInChI=1S/C17H13N5S/c1-12-8-20-22(11-12)16-6-2-5-14(21-16)15-10-19-17(23-15)13-4-3-7-18-9-13/h2-11H,1H3
InChIKeyDZGCQIRFFCEJFO-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.76
Rot. Bonds3

About 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole

5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416038) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416038
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole
SMILESCc1cnn(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)c1
InChIInChI=1S/C17H13N5S/c1-12-8-20-22(11-12)16-6-2-5-14(21-16)15-10-19-17(23-15)13-4-3-7-18-9-13/h2-11H,1H3
InChIKeyDZGCQIRFFCEJFO-UHFFFAOYSA-N
XLogP3.76
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methylpyrazolo[5,4-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123365126
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
2-pyridin-2-yl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[2,3-b]pyridine
CID 123407253
(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine
CID 77107044
4-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82422652
5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole
CID 129063059
2-pyrazol-1-yl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 58336838
3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 138522753
N-[(E)-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methylideneamino]-1,3-benzodioxol-5-amine
CID 77107445
[6-(4-methylpyrazol-1-yl)-2-pyridinyl]methanol
CID 62253586
(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081538
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole (CID 58416038) is 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole is Cc1cnn(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)c1.
What is the InChIKey of 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is DZGCQIRFFCEJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-12-8-20-22(11-12)16-6-2-5-14(21-16)15-10-19-17(23-15)13-4-3-7-18-9-13/h2-11H,1H3.
What are the key properties of 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 319.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).