5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid

C19H20N2O2S2 — CID 120512015

IUPAC5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C19H20N2O2S2/c22-18(23)9-8-15(11-14-5-2-1-3-6-14)20-12-16-13-25-19(21-16)17-7-4-10-24-17/h1-7,10,13,15,20H,8-9,11-12H2,(H,22,23)
InChIKeyMKQKRBOJSYABQP-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.44
Rot. Bonds9

About 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid

5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid (PubChem CID 120512015) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid
PubChem CID120512015
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C19H20N2O2S2/c22-18(23)9-8-15(11-14-5-2-1-3-6-14)20-12-16-13-25-19(21-16)17-7-4-10-24-17/h1-7,10,13,15,20H,8-9,11-12H2,(H,22,23)
InChIKeyMKQKRBOJSYABQP-UHFFFAOYSA-N
XLogP4.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-Phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146452207
4-[2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)methyl]-4-phenyl-1,3-thiazol-5-yl]butanoic acid
CID 136219137
2-{1-[2-Oxo-2-({[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}amino)ethyl]cyclohexyl}acetic acid
CID 2738297
N-(2-(2-phenylthiazol-4-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 7119102
1-[2-(4-Fluorophenyl)acetyl]-N-{[2-(thiophen-2-YL)-1,3-thiazol-4-YL]methyl}piperidine-4-carboxamide
CID 20973346
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 20973356
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 73057713
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 73057714
1-(3-Phenylpropanoyl)-N-{[2-(thiophen-2-YL)-1,3-thiazol-4-YL]methyl}piperidine-4-carboxamide
CID 20973353
2-{[2-(2-Phenyl-1,3-thiazol-4-yl)ethyl]carbamoyl}cyclohexane-1-carboxylic acid
CID 22583823
3-acetamido-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-phenylpropanamide
CID 17465039
(3R)-3-benzyl-4-[[4-[2-(3-fluorophenyl)phenyl]-1,3-thiazol-2-yl]methylamino]-4-oxobutanoic acid
CID 68628814

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid (CID 120512015) is 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1csc(-c2cccs2)n1.
What is the InChIKey of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The InChIKey is MKQKRBOJSYABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c22-18(23)9-8-15(11-14-5-2-1-3-6-14)20-12-16-13-25-19(21-16)17-7-4-10-24-17/h1-7,10,13,15,20H,8-9,11-12H2,(H,22,23).
What are the key properties of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid has a molecular weight of 372.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid is sourced from PubChem (CID 120512015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).