N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide

C20H25N3O3S — CID 24575552

IUPACN-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCC1CCc2nc(NC(=O)CNC(=O)c3ccc(OC(C)C)cc3)sc2C1
InChIInChI=1S/C20H25N3O3S/c1-12(2)26-15-7-5-14(6-8-15)19(25)21-11-18(24)23-20-22-16-9-4-13(3)10-17(16)27-20/h5-8,12-13H,4,9-11H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyZPRBXCZCOGAIIN-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.42
Rot. Bonds6

About N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide

N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide (PubChem CID 24575552) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
PubChem CID24575552
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCC1CCc2nc(NC(=O)CNC(=O)c3ccc(OC(C)C)cc3)sc2C1
InChIInChI=1S/C20H25N3O3S/c1-12(2)26-15-7-5-14(6-8-15)19(25)21-11-18(24)23-20-22-16-9-4-13(3)10-17(16)27-20/h5-8,12-13H,4,9-11H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyZPRBXCZCOGAIIN-UHFFFAOYSA-N
XLogP3.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 46601361
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide
CID 42279683
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
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
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17010819
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280085
4-(diethylamino)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 6936066
4-(5-methylpyrazol-1-yl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 32573806
4-cyano-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43027587

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide (CID 24575552) is N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide is CC1CCc2nc(NC(=O)CNC(=O)c3ccc(OC(C)C)cc3)sc2C1.
What is the InChIKey of N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The InChIKey is ZPRBXCZCOGAIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-12(2)26-15-7-5-14(6-8-15)19(25)21-11-18(24)23-20-22-16-9-4-13(3)10-17(16)27-20/h5-8,12-13H,4,9-11H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide has a molecular weight of 387.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 24575552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).