4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

C17H20N6S — CID 53192077

IUPAC4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C17H20N6S/c1-12-15(24-11-19-12)10-23-7-3-5-14(9-23)17-20-16(21-22-17)13-4-2-6-18-8-13/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,20,21,22)
InChIKeyHIQJUXPVZVQZEK-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 53192077) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID53192077
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C17H20N6S/c1-12-15(24-11-19-12)10-23-7-3-5-14(9-23)17-20-16(21-22-17)13-4-2-6-18-8-13/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,20,21,22)
InChIKeyHIQJUXPVZVQZEK-UHFFFAOYSA-N
XLogP3.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 53192077) is 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1ncsc1CN1CCCC(c2nc(-c3cccnc3)n[nH]2)C1.
What is the InChIKey of 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HIQJUXPVZVQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-15(24-11-19-12)10-23-7-3-5-14(9-23)17-20-16(21-22-17)13-4-2-6-18-8-13/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,20,21,22).
What are the key properties of 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 53192077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).