1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide

C17H15N5OS — CID 31289238

IUPAC1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3nc4ccc(C)cc4s3)ccc21
InChIInChI=1S/C17H15N5OS/c1-3-22-14-7-5-11(9-13(14)20-21-22)16(23)19-17-18-12-6-4-10(2)8-15(12)24-17/h4-9H,3H2,1-2H3,(H,18,19,23)
InChIKeyUYMLJWIVMOYGRR-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.62
Rot. Bonds3

About 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide

1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide (PubChem CID 31289238) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide
PubChem CID31289238
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3nc4ccc(C)cc4s3)ccc21
InChIInChI=1S/C17H15N5OS/c1-3-22-14-7-5-11(9-13(14)20-21-22)16(23)19-17-18-12-6-4-10(2)8-15(12)24-17/h4-9H,3H2,1-2H3,(H,18,19,23)
InChIKeyUYMLJWIVMOYGRR-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 48585600
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxybenzotriazole-5-carboxamide
CID 2103166
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566755
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19476680
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 8780720
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide (CID 31289238) is 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3nc4ccc(C)cc4s3)ccc21.
What is the InChIKey of 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide?
The InChIKey is UYMLJWIVMOYGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-3-22-14-7-5-11(9-13(14)20-21-22)16(23)19-17-18-12-6-4-10(2)8-15(12)24-17/h4-9H,3H2,1-2H3,(H,18,19,23).
What are the key properties of 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide?
1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide is sourced from PubChem (CID 31289238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).