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

C22H17ClN6S — CID 70693280

IUPACN-[(4-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccc(Cl)cc3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17ClN6S/c1-14-3-2-4-18(27-14)20-21(16-7-10-19-25-13-26-29(19)12-16)30-22(28-20)24-11-15-5-8-17(23)9-6-15/h2-10,12-13H,11H2,1H3,(H,24,28)
InChIKeyNVUCXTBAGHPGKH-UHFFFAOYSA-N
MW432.94 g/mol
LogP5.49
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 70693280) has the molecular formula C22H17ClN6S and a molecular weight of 432.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID70693280
Molecular FormulaC22H17ClN6S
Molecular Weight432.94 g/mol
Exact Mass432.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccc(Cl)cc3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17ClN6S/c1-14-3-2-4-18(27-14)20-21(16-7-10-19-25-13-26-29(19)12-16)30-22(28-20)24-11-15-5-8-17(23)9-6-15/h2-10,12-13H,11H2,1H3,(H,24,28)
InChIKeyNVUCXTBAGHPGKH-UHFFFAOYSA-N
XLogP5.49
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 70693280) is N-[(4-chlorophenyl)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-[(4-chlorophenyl)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-[(4-chlorophenyl)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(NCc3ccc(Cl)cc3)sc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[(4-chlorophenyl)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 NVUCXTBAGHPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6S/c1-14-3-2-4-18(27-14)20-21(16-7-10-19-25-13-26-29(19)12-16)30-22(28-20)24-11-15-5-8-17(23)9-6-15/h2-10,12-13H,11H2,1H3,(H,24,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-[(4-chlorophenyl)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 432.94 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)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 70693280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).