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

C16H15N7S — CID 56872116

IUPAC4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole
SMILESCc1csc(-c2nccn2CCc2nc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C16H15N7S/c1-11-10-24-16(19-11)15-18-6-8-23(15)7-4-13-20-14(22-21-13)12-3-2-5-17-9-12/h2-3,5-6,8-10H,4,7H2,1H3,(H,20,21,22)
InChIKeyNVHGWKYAFUEGBT-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.74
Rot. Bonds5

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

4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 56872116) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole
PubChem CID56872116
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole
SMILESCc1csc(-c2nccn2CCc2nc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C16H15N7S/c1-11-10-24-16(19-11)15-18-6-8-23(15)7-4-13-20-14(22-21-13)12-3-2-5-17-9-12/h2-3,5-6,8-10H,4,7H2,1H3,(H,20,21,22)
InChIKeyNVHGWKYAFUEGBT-UHFFFAOYSA-N
XLogP2.74
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole (CID 56872116) is 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole is Cc1csc(-c2nccn2CCc2nc(-c3cccnc3)n[nH]2)n1.
What is the InChIKey of 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is NVHGWKYAFUEGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-11-10-24-16(19-11)15-18-6-8-23(15)7-4-13-20-14(22-21-13)12-3-2-5-17-9-12/h2-3,5-6,8-10H,4,7H2,1H3,(H,20,21,22).
What are the key properties of 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole?
4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 337.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 56872116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).