N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide

C18H22N2O2S — CID 42279683

IUPACN-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-10-22-14-7-5-13(6-8-14)17(21)20-18-19-15-9-4-12(2)11-16(15)23-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20,21)/t12-/m0/s1
InChIKeyLEWNUENHWDUOMU-LBPRGKRZSA-N
MW330.45 g/mol
LogP4.31
Rot. Bonds5

About N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide

N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide (PubChem CID 42279683) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide
PubChem CID42279683
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-10-22-14-7-5-13(6-8-14)17(21)20-18-19-15-9-4-12(2)11-16(15)23-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20,21)/t12-/m0/s1
InChIKeyLEWNUENHWDUOMU-LBPRGKRZSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide with MolForge

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Related Compounds

3-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 17011098
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
4-(diethylamino)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 6936066
4-cyano-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43027587
3,4,5-triethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7951684
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 46601361
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propoxybenzamide
CID 2536195
6-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17168198
3,5-dimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 959053

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide?
The IUPAC name of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide (CID 42279683) is N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide.
What is the SMILES notation for N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide?
The canonical SMILES for N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1.
What is the InChIKey of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide?
The InChIKey is LEWNUENHWDUOMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-10-22-14-7-5-13(6-8-14)17(21)20-18-19-15-9-4-12(2)11-16(15)23-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20,21)/t12-/m0/s1.
What are the key properties of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide?
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide has a molecular weight of 330.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide is sourced from PubChem (CID 42279683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).