N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C19H21N3O3S — CID 16559280

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC1CCc2nc(NC(=O)CCCn3c(=O)oc4ccccc43)sc2C1
InChIInChI=1S/C19H21N3O3S/c1-12-8-9-13-16(11-12)26-18(20-13)21-17(23)7-4-10-22-14-5-2-3-6-15(14)25-19(22)24/h2-3,5-6,12H,4,7-11H2,1H3,(H,20,21,23)
InChIKeyAXTIECHACBNBFZ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.59
Rot. Bonds5

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 16559280) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID16559280
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC1CCc2nc(NC(=O)CCCn3c(=O)oc4ccccc43)sc2C1
InChIInChI=1S/C19H21N3O3S/c1-12-8-9-13-16(11-12)26-18(20-13)21-17(23)7-4-10-22-14-5-2-3-6-15(14)25-19(22)24/h2-3,5-6,12H,4,7-11H2,1H3,(H,20,21,23)
InChIKeyAXTIECHACBNBFZ-UHFFFAOYSA-N
XLogP3.59
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24586612
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081150
3-(benzenesulfonyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7189633
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 39965422
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
4-(4-methoxyphenyl)sulfonyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
CID 41411688
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
4-(4-methoxyphenyl)sulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 18585858
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 92634104
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 46597234
2-(4-fluorophenyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 7597148

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 16559280) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CC1CCc2nc(NC(=O)CCCn3c(=O)oc4ccccc43)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is AXTIECHACBNBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-8-9-13-16(11-12)26-18(20-13)21-17(23)7-4-10-22-14-5-2-3-6-15(14)25-19(22)24/h2-3,5-6,12H,4,7-11H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 371.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 16559280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).