3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide

C19H20N2O2S — CID 110883737

IUPAC3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)NCCO)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-19(18(23)20-11-12-22,14-7-3-2-4-8-14)13-17-21-15-9-5-6-10-16(15)24-17/h2-10,22H,11-13H2,1H3,(H,20,23)
InChIKeyNNVOUEBTHYYENS-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.91
Rot. Bonds6

About 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide

3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide (PubChem CID 110883737) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
PubChem CID110883737
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)NCCO)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-19(18(23)20-11-12-22,14-7-3-2-4-8-14)13-17-21-15-9-5-6-10-16(15)24-17/h2-10,22H,11-13H2,1H3,(H,20,23)
InChIKeyNNVOUEBTHYYENS-UHFFFAOYSA-N
XLogP2.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]propanoic acid
CID 119243708
(2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
CID 7129648
N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
CID 60617359
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide
CID 43072482
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide
CID 119461907
N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
CID 119476436
3-(1,3-benzothiazol-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-2-phenylpropanamide
CID 55556956
N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide;dihydrochloride
CID 119476435
2-oxopropyl (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoate
CID 8973831
3-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]-N-ethylbenzamide
CID 75857663
(2R)-3-(1,3-benzothiazol-2-yl)-N-(cyanomethyl)-N,2-dimethyl-2-phenylpropanamide
CID 52812485
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide (CID 110883737) is 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide is CC(Cc1nc2ccccc2s1)(C(=O)NCCO)c1ccccc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide?
The InChIKey is NNVOUEBTHYYENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-19(18(23)20-11-12-22,14-7-3-2-4-8-14)13-17-21-15-9-5-6-10-16(15)24-17/h2-10,22H,11-13H2,1H3,(H,20,23).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide?
3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide has a molecular weight of 340.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 110883737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).