N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide

C19H15N7OS — CID 82564102

IUPACN-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3nc4cc(-c5nccs5)ccc4n3[nH]2)cc1
InChIInChI=1S/C19H15N7OS/c1-11(27)21-13-3-5-14(6-4-13)22-18-24-19-23-15-10-12(17-20-8-9-28-17)2-7-16(15)26(19)25-18/h2-10H,1H3,(H,21,27)(H2,22,23,24,25)
InChIKeyJNTIIBQVRAMYFT-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.04
Rot. Bonds4

About N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide

N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide (PubChem CID 82564102) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide
PubChem CID82564102
Molecular FormulaC19H15N7OS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC NameN-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3nc4cc(-c5nccs5)ccc4n3[nH]2)cc1
InChIInChI=1S/C19H15N7OS/c1-11(27)21-13-3-5-14(6-4-13)22-18-24-19-23-15-10-12(17-20-8-9-28-17)2-7-16(15)26(19)25-18/h2-10H,1H3,(H,21,27)(H2,22,23,24,25)
InChIKeyJNTIIBQVRAMYFT-UHFFFAOYSA-N
XLogP4.04
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585
N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82564153
ethyl 2-(4-acetamidoanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564040
N-[(1-phenylcyclopropyl)methyl]-6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564124
2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563979
methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
CID 82563265
N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563238
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide (CID 82564102) is N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc3nc4cc(-c5nccs5)ccc4n3[nH]2)cc1.
What is the InChIKey of N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide?
The InChIKey is JNTIIBQVRAMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7OS/c1-11(27)21-13-3-5-14(6-4-13)22-18-24-19-23-15-10-12(17-20-8-9-28-17)2-7-16(15)26(19)25-18/h2-10H,1H3,(H,21,27)(H2,22,23,24,25).
What are the key properties of N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide?
N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide has a molecular weight of 389.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 82564102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).