N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C19H16N6OS — CID 58095072

IUPACN-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3C)c(-c3ncn[nH]3)s2)ccn1
InChIInChI=1S/C19H16N6OS/c1-11-5-3-4-6-14(11)16-17(18-21-10-22-25-18)27-19(24-16)13-7-8-20-15(9-13)23-12(2)26/h3-10H,1-2H3,(H,20,23,26)(H,21,22,25)
InChIKeyBDLYOUIYVJVJQN-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.92
Rot. Bonds4

About N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 58095072) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
PubChem CID58095072
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3C)c(-c3ncn[nH]3)s2)ccn1
InChIInChI=1S/C19H16N6OS/c1-11-5-3-4-6-14(11)16-17(18-21-10-22-25-18)27-19(24-16)13-7-8-20-15(9-13)23-12(2)26/h3-10H,1-2H3,(H,20,23,26)(H,21,22,25)
InChIKeyBDLYOUIYVJVJQN-UHFFFAOYSA-N
XLogP3.92
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 58095072) is N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3ccccc3C)c(-c3ncn[nH]3)s2)ccn1.
What is the InChIKey of N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is BDLYOUIYVJVJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-11-5-3-4-6-14(11)16-17(18-21-10-22-25-18)27-19(24-16)13-7-8-20-15(9-13)23-12(2)26/h3-10H,1-2H3,(H,20,23,26)(H,21,22,25).
What are the key properties of N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 58095072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).