2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H14N6OS — CID 155552622

IUPAC2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3cccc(N)c3)nn2)n1
InChIInChI=1S/C14H14N6OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-3-2-4-11(15)5-10/h2-6,8H,7,15H2,1H3,(H,16,17,21)
InChIKeyNXYHUKUIPPKQLZ-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.93
Rot. Bonds4

About 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 155552622) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID155552622
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3cccc(N)c3)nn2)n1
InChIInChI=1S/C14H14N6OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-3-2-4-11(15)5-10/h2-6,8H,7,15H2,1H3,(H,16,17,21)
InChIKeyNXYHUKUIPPKQLZ-UHFFFAOYSA-N
XLogP1.93
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 1092458
N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide
CID 87408321
(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 155515737
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 752439
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 866695
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1006911
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1080938
N-{3-[2-(Pyridin-2-ylamino)-thiazol-4-yl]-phenyl}-acetamide
CID 1092456
N-(3-{2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2958469
N-(3-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)butyramide
CID 7151263
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 60490678

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 155552622) is 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2cc(-c3cccc(N)c3)nn2)n1.
What is the InChIKey of 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NXYHUKUIPPKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-3-2-4-11(15)5-10/h2-6,8H,7,15H2,1H3,(H,16,17,21).
What are the key properties of 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155552622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).