N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine

C24H22N6S — CID 70684847

IUPACN-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3cccc(C)c3C)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H22N6S/c1-15-6-4-8-18(17(15)3)12-25-24-29-22(20-9-5-7-16(2)28-20)23(31-24)19-10-11-21-26-14-27-30(21)13-19/h4-11,13-14H,12H2,1-3H3,(H,25,29)
InChIKeyVMAJWCRBVRIZQR-UHFFFAOYSA-N
MW426.55 g/mol
LogP5.45
Rot. Bonds5

About N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine

N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 70684847) has the molecular formula C24H22N6S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID70684847
Molecular FormulaC24H22N6S
Molecular Weight426.55 g/mol
Exact Mass426.16
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3cccc(C)c3C)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C24H22N6S/c1-15-6-4-8-18(17(15)3)12-25-24-29-22(20-9-5-7-16(2)28-20)23(31-24)19-10-11-21-26-14-27-30(21)13-19/h4-11,13-14H,12H2,1-3H3,(H,25,29)
InChIKeyVMAJWCRBVRIZQR-UHFFFAOYSA-N
XLogP5.45
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 70684847) is N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is Cc1cccc(-c2nc(NCc3cccc(C)c3C)sc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is VMAJWCRBVRIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6S/c1-15-6-4-8-18(17(15)3)12-25-24-29-22(20-9-5-7-16(2)28-20)23(31-24)19-10-11-21-26-14-27-30(21)13-19/h4-11,13-14H,12H2,1-3H3,(H,25,29).
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 426.55 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 70684847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).