2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C19H24N2O2S — CID 60610265

IUPAC2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCC1CCc2nc(NC(=O)c3ccccc3COC)sc2C1
InChIInChI=1S/C19H24N2O2S/c1-3-6-13-9-10-16-17(11-13)24-19(20-16)21-18(22)15-8-5-4-7-14(15)12-23-2/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,20,21,22)
InChIKeyMQLXDDJHCPKOPW-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.45
Rot. Bonds6

About 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 60610265) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID60610265
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCC1CCc2nc(NC(=O)c3ccccc3COC)sc2C1
InChIInChI=1S/C19H24N2O2S/c1-3-6-13-9-10-16-17(11-13)24-19(20-16)21-18(22)15-8-5-4-7-14(15)12-23-2/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,20,21,22)
InChIKeyMQLXDDJHCPKOPW-UHFFFAOYSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(S)-methylsulfinyl]methyl]-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 97027434
N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 52817572
N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119311177
N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62941430
trans-(1S,2S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97098157
3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 51101621
2-[(3-bromophenyl)methylsulfonyl]-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 52817496
2-[methyl(methylsulfonyl)amino]-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 60610311
(2R,3S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)morpholine-3-carboxamide
CID 120929484
(2S,4S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120629236
2,3-dimethoxy-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7243931
(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide
CID 99699028

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 60610265) is 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is CCCC1CCc2nc(NC(=O)c3ccccc3COC)sc2C1.
What is the InChIKey of 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MQLXDDJHCPKOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-6-13-9-10-16-17(11-13)24-19(20-16)21-18(22)15-8-5-4-7-14(15)12-23-2/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 344.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 60610265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).