2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid

C20H26N2O4S — CID 174661105

IUPAC2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)C(N)(CCCc1ccccc1)Cc1nc(C(=O)O)cs1
InChIInChI=1S/C20H26N2O4S/c1-19(2,3)26-18(25)20(21,11-7-10-14-8-5-4-6-9-14)12-16-22-15(13-27-16)17(23)24/h4-6,8-9,13H,7,10-12,21H2,1-3H3,(H,23,24)
InChIKeyNFRIBLHNAZAOHA-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.45
Rot. Bonds8

About 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid

2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 174661105) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid
PubChem CID174661105
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)C(N)(CCCc1ccccc1)Cc1nc(C(=O)O)cs1
InChIInChI=1S/C20H26N2O4S/c1-19(2,3)26-18(25)20(21,11-7-10-14-8-5-4-6-9-14)12-16-22-15(13-27-16)17(23)24/h4-6,8-9,13H,7,10-12,21H2,1-3H3,(H,23,24)
InChIKeyNFRIBLHNAZAOHA-UHFFFAOYSA-N
XLogP3.45
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

tert-butyl (2S)-2-amino-2-benzyl-5-chloropentanoate
CID 46854505
2,6-diamino-6-benzyl-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid
CID 141197192
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
3-phenylpropyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66380535
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
tert-butyl 3-phenylpropyl carbonate
CID 24789021
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82302250
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 105118402
2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
CID 18973803
2-(aminomethyl)-N-(5-phenylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119772378
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380511

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid (CID 174661105) is 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)C(N)(CCCc1ccccc1)Cc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NFRIBLHNAZAOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-19(2,3)26-18(25)20(21,11-7-10-14-8-5-4-6-9-14)12-16-22-15(13-27-16)17(23)24/h4-6,8-9,13H,7,10-12,21H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid?
2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 390.51 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 174661105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).