4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide

C14H14N6OS — CID 154741415

IUPAC4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCn1nncc1CNc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H14N6OS/c1-20-12(9-17-19-20)8-16-11-4-2-10(3-5-11)13(21)18-14-15-6-7-22-14/h2-7,9,16H,8H2,1H3,(H,15,18,21)
InChIKeyIEZLUSBIGNZEBY-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.14
Rot. Bonds5

About 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide

4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 154741415) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID154741415
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCn1nncc1CNc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H14N6OS/c1-20-12(9-17-19-20)8-16-11-4-2-10(3-5-11)13(21)18-14-15-6-7-22-14/h2-7,9,16H,8H2,1H3,(H,15,18,21)
InChIKeyIEZLUSBIGNZEBY-UHFFFAOYSA-N
XLogP2.14
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N-[(3-methyltriazol-4-yl)methyl]-4-nitroaniline
CID 113483011
6-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62171449
4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361496
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
5-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 104639863

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide (CID 154741415) is 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide is Cn1nncc1CNc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IEZLUSBIGNZEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-20-12(9-17-19-20)8-16-11-4-2-10(3-5-11)13(21)18-14-15-6-7-22-14/h2-7,9,16H,8H2,1H3,(H,15,18,21).
What are the key properties of 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide?
4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 314.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyltriazol-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 154741415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).