2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C16H18N2OS — CID 6466381

IUPAC2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccccc1CC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2OS/c1-11-6-2-3-7-12(11)10-15(19)18-16-17-13-8-4-5-9-14(13)20-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18,19)
InChIKeyGGMOGRJXKSIHEQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.51
Rot. Bonds3

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

2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 6466381) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID6466381
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccccc1CC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2OS/c1-11-6-2-3-7-12(11)10-15(19)18-16-17-13-8-4-5-9-14(13)20-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18,19)
InChIKeyGGMOGRJXKSIHEQ-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
CID 16606453
2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 146022567
2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 8025177
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
CID 50832388
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38493203
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 33041067
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 41340478

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 6466381) is 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1ccccc1CC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GGMOGRJXKSIHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-6-2-3-7-12(11)10-15(19)18-16-17-13-8-4-5-9-14(13)20-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 6466381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).