N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide

C17H17N3OS — CID 91680418

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1
InChIInChI=1S/C17H17N3OS/c1-3-11-4-6-12(7-5-11)16(21)19-13-8-10(2)15-14(9-13)22-17(18)20-15/h4-9H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyLRVMWPQCPBSPMH-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.00
Rot. Bonds3

About N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide (PubChem CID 91680418) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
PubChem CID91680418
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1
InChIInChI=1S/C17H17N3OS/c1-3-11-4-6-12(7-5-11)16(21)19-13-8-10(2)15-14(9-13)22-17(18)20-15/h4-9H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyLRVMWPQCPBSPMH-UHFFFAOYSA-N
XLogP4.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
N-[6-[(4-ethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325926
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 131891713
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 131932481
4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
CID 131920215
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
CID 91680411
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131925545
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide (CID 91680418) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
The InChIKey is LRVMWPQCPBSPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-11-4-6-12(7-5-11)16(21)19-13-8-10(2)15-14(9-13)22-17(18)20-15/h4-9H,3H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide has a molecular weight of 311.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide is sourced from PubChem (CID 91680418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).