N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

C11H16N2OS — CID 144882024

IUPACN-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)CC(C)(C)CC2
InChIInChI=1S/C11H16N2OS/c1-7(14)12-10-13-8-4-5-11(2,3)6-9(8)15-10/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyDWJLONDMACYJSK-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.62
Rot. Bonds1

About N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (PubChem CID 144882024) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
PubChem CID144882024
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)CC(C)(C)CC2
InChIInChI=1S/C11H16N2OS/c1-7(14)12-10-13-8-4-5-11(2,3)6-9(8)15-10/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyDWJLONDMACYJSK-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-2-ethyl-4-oxobutanoic acid
CID 166335415
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 128766465
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
methyl 2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11637431
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
(1S,4S)-4,7,7-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 829753
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 155959126
N-[5-(thiophene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525186
3-methylsulfonyl-N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclohexane]-2-ylpyridine-2-carboxamide
CID 166325276

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (CID 144882024) is N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2c(s1)CC(C)(C)CC2.
What is the InChIKey of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is DWJLONDMACYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(14)12-10-13-8-4-5-11(2,3)6-9(8)15-10/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 224.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 144882024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).