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

C19H17ClN4O2S — CID 175849782

IUPAC(2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
SMILESC[C@H](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)/t11-/m1/s1
InChIKeyRMPMJNGZFGYMBC-LLVKDONJSA-N
MW400.89 g/mol
LogP3.62
Rot. Bonds6

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

(2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide (PubChem CID 175849782) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide.

Molecular Properties

Compound Name(2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
PubChem CID175849782
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name(2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
SMILESC[C@H](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)/t11-/m1/s1
InChIKeyRMPMJNGZFGYMBC-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
The IUPAC name of (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide (CID 175849782) is (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide.
What is the SMILES notation for (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
The canonical SMILES for (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide is C[C@H](C(N)=O)N(c1ccc(Cl)cc1)c1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
The InChIKey is RMPMJNGZFGYMBC-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide?
(2R)-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 (2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide is sourced from PubChem (CID 175849782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).