2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide

C20H20N4O2S — CID 166792531

IUPAC2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide
SMILESCc1ccccc1N(c1nc(N)c(C(=O)c2ccccc2)s1)C(C)C(N)=O
InChIInChI=1S/C20H20N4O2S/c1-12-8-6-7-11-15(12)24(13(2)19(22)26)20-23-18(21)17(27-20)16(25)14-9-4-3-5-10-14/h3-11,13H,21H2,1-2H3,(H2,22,26)
InChIKeyVRQKCBVIAOUEKN-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.28
Rot. Bonds6

About 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide

2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide (PubChem CID 166792531) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide.

Molecular Properties

Compound Name2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide
PubChem CID166792531
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide
SMILESCc1ccccc1N(c1nc(N)c(C(=O)c2ccccc2)s1)C(C)C(N)=O
InChIInChI=1S/C20H20N4O2S/c1-12-8-6-7-11-15(12)24(13(2)19(22)26)20-23-18(21)17(27-20)16(25)14-9-4-3-5-10-14/h3-11,13H,21H2,1-2H3,(H2,22,26)
InChIKeyVRQKCBVIAOUEKN-UHFFFAOYSA-N
XLogP3.28
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
CID 166792731
(2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
CID 175849782
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide
CID 166792585
(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
CID 175849769
(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide
CID 175849886
2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide
CID 166792500
2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
CID 166792687
(2S)-2-(N-[4-amino-5-(4-cyanobenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792741
(2R)-2-(N-[4-amino-5-(4-methylsulfonylbenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 175849748
benzyl N-[4-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenyl]carbamate
CID 167523973
2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792768
(2R)-2-(N-[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-chloroanilino)propanamide
CID 166792532

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide?
The IUPAC name of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide (CID 166792531) is 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide.
What is the SMILES notation for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide?
The canonical SMILES for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide is Cc1ccccc1N(c1nc(N)c(C(=O)c2ccccc2)s1)C(C)C(N)=O.
What is the InChIKey of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide?
The InChIKey is VRQKCBVIAOUEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-8-6-7-11-15(12)24(13(2)19(22)26)20-23-18(21)17(27-20)16(25)14-9-4-3-5-10-14/h3-11,13H,21H2,1-2H3,(H2,22,26).
What are the key properties of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide?
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide has a molecular weight of 380.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide is sourced from PubChem (CID 166792531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).