N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide

C13H12N4OS — CID 18126143

IUPACN-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H12N4OS/c1-17(7-9-4-5-19-8-9)13(18)10-2-3-11-12(6-10)15-16-14-11/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyUZLQHDIPNKWCEN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.29
Rot. Bonds3

About N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide

N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide (PubChem CID 18126143) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
PubChem CID18126143
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H12N4OS/c1-17(7-9-4-5-19-8-9)13(18)10-2-3-11-12(6-10)15-16-14-11/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyUZLQHDIPNKWCEN-UHFFFAOYSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60668647
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117252
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117382

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide (CID 18126143) is N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide is CN(Cc1ccsc1)C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is UZLQHDIPNKWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-17(7-9-4-5-19-8-9)13(18)10-2-3-11-12(6-10)15-16-14-11/h2-6,8H,7H2,1H3,(H,14,15,16).
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide?
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 18126143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).