N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide

C16H19N3OS — CID 123155195

IUPACN-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide
SMILESCCc1cccc(C(=O)Nc2nc3c(s2)CC(N)CC3)c1
InChIInChI=1S/C16H19N3OS/c1-2-10-4-3-5-11(8-10)15(20)19-16-18-13-7-6-12(17)9-14(13)21-16/h3-5,8,12H,2,6-7,9,17H2,1H3,(H,18,19,20)
InChIKeyBSYFPLMHAAQMTB-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.77
Rot. Bonds3

About N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide

N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide (PubChem CID 123155195) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide.

Molecular Properties

Compound NameN-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide
PubChem CID123155195
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide
SMILESCCc1cccc(C(=O)Nc2nc3c(s2)CC(N)CC3)c1
InChIInChI=1S/C16H19N3OS/c1-2-10-4-3-5-11(8-10)15(20)19-16-18-13-7-6-12(17)9-14(13)21-16/h3-5,8,12H,2,6-7,9,17H2,1H3,(H,18,19,20)
InChIKeyBSYFPLMHAAQMTB-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(S)-methylsulfinyl]methyl]-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 97027434
N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide
CID 123567234
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
3-ethylsulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43981130
3-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 17011098
N-[6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 123442999
N-[[3-[(6-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)carbamoyl]phenyl]methyl]-3-chloro-4-methoxybenzamide
CID 143722658
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chlorobenzamide
CID 40773721
N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 52817572
N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 84973056
3-ethylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7578763

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide?
The IUPAC name of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide (CID 123155195) is N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide.
What is the SMILES notation for N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide?
The canonical SMILES for N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide is CCc1cccc(C(=O)Nc2nc3c(s2)CC(N)CC3)c1.
What is the InChIKey of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide?
The InChIKey is BSYFPLMHAAQMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-10-4-3-5-11(8-10)15(20)19-16-18-13-7-6-12(17)9-14(13)21-16/h3-5,8,12H,2,6-7,9,17H2,1H3,(H,18,19,20).
What are the key properties of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide?
N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide is sourced from PubChem (CID 123155195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).