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

C13H13N5S — CID 54671015

IUPAC4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1cc(-c2cccnc2)nn1
InChIInChI=1S/C13H13N5S/c1-10-13(19-9-15-10)4-6-18-8-12(16-17-18)11-3-2-5-14-7-11/h2-3,5,7-9H,4,6H2,1H3
InChIKeyGUEXGUKJJGTYGT-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.35
Rot. Bonds4

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

4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 54671015) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole
PubChem CID54671015
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1cc(-c2cccnc2)nn1
InChIInChI=1S/C13H13N5S/c1-10-13(19-9-15-10)4-6-18-8-12(16-17-18)11-3-2-5-14-7-11/h2-3,5,7-9H,4,6H2,1H3
InChIKeyGUEXGUKJJGTYGT-UHFFFAOYSA-N
XLogP2.35
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 600616
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CID 57384102
CID 57384102
CID 2725997
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CID 2725998
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CID 11715388
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CID 11521435
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CID 16832293
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CID 2768051
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CID 57403527
CID 57403527

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole (CID 54671015) is 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole is Cc1ncsc1CCn1cc(-c2cccnc2)nn1.
What is the InChIKey of 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is GUEXGUKJJGTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-10-13(19-9-15-10)4-6-18-8-12(16-17-18)11-3-2-5-14-7-11/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole?
4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 271.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 54671015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).