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

C19H17ClN4O2S — CID 166792731

IUPAC2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
SMILESCC(C(N)=O)N(c1ccc(Cl)cc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H17ClN4O2S/c1-11(18(22)26)24(14-9-7-13(20)8-10-14)19-23-17(21)16(27-19)15(25)12-5-3-2-4-6-12/h2-11H,21H2,1H3,(H2,22,26)
InChIKeyRMPMJNGZFGYMBC-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.62
Rot. Bonds6

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

2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide (PubChem CID 166792731) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide.

Molecular Properties

Compound Name2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
PubChem CID166792731
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
SMILESCC(C(N)=O)N(c1ccc(Cl)cc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H17ClN4O2S/c1-11(18(22)26)24(14-9-7-13(20)8-10-14)19-23-17(21)16(27-19)15(25)12-5-3-2-4-6-12/h2-11H,21H2,1H3,(H2,22,26)
InChIKeyRMPMJNGZFGYMBC-UHFFFAOYSA-N
XLogP3.62
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
CID 175849782
(2R)-2-(N-[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-chloroanilino)propanamide
CID 166792532
(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)-3-fluoroanilino)propanamide
CID 166792585
2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
CID 166792632
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide
CID 166792531
2-(N-[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-3-chloro-4-fluoroanilino)propanamide
CID 166792703
2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
CID 166792687
2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide
CID 166792500
(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
CID 175849769
(2R)-2-(N-[4-amino-5-(4-methylsulfonylbenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 175849748
(2S)-2-(N-[4-amino-5-(4-cyanobenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792741

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
The IUPAC name of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide (CID 166792731) is 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide.
What is the SMILES notation for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
The canonical SMILES for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide is CC(C(N)=O)N(c1ccc(Cl)cc1)c1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
The InChIKey is RMPMJNGZFGYMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-11(18(22)26)24(14-9-7-13(20)8-10-14)19-23-17(21)16(27-19)15(25)12-5-3-2-4-6-12/h2-11H,21H2,1H3,(H2,22,26).
What are the key properties of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide has a molecular weight of 400.89 g/mol, XLogP of 3.62, 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)-4-chloroanilino)propanamide is sourced from PubChem (CID 166792731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).