3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide

C22H19N3OS — CID 43072482

IUPAC3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)Nc1ccncc1)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-22(16-7-3-2-4-8-16,21(26)24-17-11-13-23-14-12-17)15-20-25-18-9-5-6-10-19(18)27-20/h2-14H,15H2,1H3,(H,23,24,26)
InChIKeyNFVGKGAZRLTCKG-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.83
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide

3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide (PubChem CID 43072482) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide
PubChem CID43072482
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)Nc1ccncc1)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-22(16-7-3-2-4-8-16,21(26)24-17-11-13-23-14-12-17)15-20-25-18-9-5-6-10-19(18)27-20/h2-14H,15H2,1H3,(H,23,24,26)
InChIKeyNFVGKGAZRLTCKG-UHFFFAOYSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
CID 60617359
3-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]-N-ethylbenzamide
CID 75857663
(2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
CID 7129648
3-(1,3-benzothiazol-2-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide
CID 60553589
3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
CID 110883737
(2R)-2-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]propanoic acid
CID 119243708
N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
CID 119476436
3-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide
CID 55675201
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
(2R)-3-(1,3-benzothiazol-2-yl)-N-(cyanomethyl)-N,2-dimethyl-2-phenylpropanamide
CID 52812485
N-[3-[[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524689

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide (CID 43072482) is 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide is CC(Cc1nc2ccccc2s1)(C(=O)Nc1ccncc1)c1ccccc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide?
The InChIKey is NFVGKGAZRLTCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-22(16-7-3-2-4-8-16,21(26)24-17-11-13-23-14-12-17)15-20-25-18-9-5-6-10-19(18)27-20/h2-14H,15H2,1H3,(H,23,24,26).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide?
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 43072482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).