2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole

C17H15N5S — CID 68883917

IUPAC2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole
SMILESCc1cccc(-c2sc(C)nc2-c2ccc3nnn(C)c3c2)n1
InChIInChI=1S/C17H15N5S/c1-10-5-4-6-14(18-10)17-16(19-11(2)23-17)12-7-8-13-15(9-12)22(3)21-20-13/h4-9H,1-3H3
InChIKeyYDQGEOPHLJREGJ-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.77
Rot. Bonds2

About 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole

2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole (PubChem CID 68883917) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole
PubChem CID68883917
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole
SMILESCc1cccc(-c2sc(C)nc2-c2ccc3nnn(C)c3c2)n1
InChIInChI=1S/C17H15N5S/c1-10-5-4-6-14(18-10)17-16(19-11(2)23-17)12-7-8-13-15(9-12)22(3)21-20-13/h4-9H,1-3H3
InChIKeyYDQGEOPHLJREGJ-UHFFFAOYSA-N
XLogP3.77
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole (CID 68883917) is 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole is Cc1cccc(-c2sc(C)nc2-c2ccc3nnn(C)c3c2)n1.
What is the InChIKey of 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole?
The InChIKey is YDQGEOPHLJREGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-10-5-4-6-14(18-10)17-16(19-11(2)23-17)12-7-8-13-15(9-12)22(3)21-20-13/h4-9H,1-3H3.
What are the key properties of 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole?
2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole has a molecular weight of 321.41 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 68883917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).