(5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide

C19H23N3O3S — CID 159584062

IUPAC(5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide
SMILESCC[C@H](NC(=O)CCc1ccc(-c2nccs2)cc1)C(=O)CCC(N)=O
InChIInChI=1S/C19H23N3O3S/c1-2-15(16(23)8-9-17(20)24)22-18(25)10-5-13-3-6-14(7-4-13)19-21-11-12-26-19/h3-4,6-7,11-12,15H,2,5,8-10H2,1H3,(H2,20,24)(H,22,25)/t15-/m0/s1
InChIKeySXAWMPNHHAOZFK-HNNXBMFYSA-N
MW373.48 g/mol
LogP2.47
Rot. Bonds10

About (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide

(5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide (PubChem CID 159584062) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide.

Molecular Properties

Compound Name(5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide
PubChem CID159584062
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide
SMILESCC[C@H](NC(=O)CCc1ccc(-c2nccs2)cc1)C(=O)CCC(N)=O
InChIInChI=1S/C19H23N3O3S/c1-2-15(16(23)8-9-17(20)24)22-18(25)10-5-13-3-6-14(7-4-13)19-21-11-12-26-19/h3-4,6-7,11-12,15H,2,5,8-10H2,1H3,(H2,20,24)(H,22,25)/t15-/m0/s1
InChIKeySXAWMPNHHAOZFK-HNNXBMFYSA-N
XLogP2.47
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-8-amino-4-[3-(4-methylphenyl)propanoylamino]-5,8-dioxooctanoic acid
CID 162172413
(2R,5S)-2-(4-aminobutyl)-4-oxo-5-[3-(4-thiophen-2-ylphenyl)propanoylamino]heptanamide
CID 159158440
(4S)-8-amino-4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propanoylamino]-5,8-dioxooctanoic acid;propanoic acid
CID 158626344
5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 43358715
5-[(2-amino-2-oxoethyl)amino]-4-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoylamino]-5-oxopentanoic acid
CID 123246462
2-[4-(1,3-thiazol-2-yl)phenyl]butanoic acid
CID 174694618
(4R,7S)-4-carbamoyl-6-oxo-7-[3-(4-phenylphenyl)propanoylamino]nonanoic acid;formic acid
CID 157378160
4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 43357198
2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 21087167
N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propanamide
CID 123161282
(2R)-4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 107821277
3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764369

Frequently Asked Questions

What is the IUPAC name of (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide?
The IUPAC name of (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide (CID 159584062) is (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide.
What is the SMILES notation for (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide?
The canonical SMILES for (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide is CC[C@H](NC(=O)CCc1ccc(-c2nccs2)cc1)C(=O)CCC(N)=O.
What is the InChIKey of (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide?
The InChIKey is SXAWMPNHHAOZFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-15(16(23)8-9-17(20)24)22-18(25)10-5-13-3-6-14(7-4-13)19-21-11-12-26-19/h3-4,6-7,11-12,15H,2,5,8-10H2,1H3,(H2,20,24)(H,22,25)/t15-/m0/s1.
What are the key properties of (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide?
(5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide has a molecular weight of 373.48 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-oxo-5-[3-[4-(1,3-thiazol-2-yl)phenyl]propanoylamino]heptanamide is sourced from PubChem (CID 159584062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).