5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid

C19H28N2O4S — CID 122056923

IUPAC5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C19H28N2O4S/c22-17(23)9-8-14(11-13-5-2-1-3-6-13)21-18(24)16-12-20-19(26-16)15-7-4-10-25-15/h12-15H,1-11H2,(H,21,24)(H,22,23)
InChIKeyJLOOFEJFFLIEHR-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.93
Rot. Bonds8

About 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid

5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid (PubChem CID 122056923) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
PubChem CID122056923
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C19H28N2O4S/c22-17(23)9-8-14(11-13-5-2-1-3-6-13)21-18(24)16-12-20-19(26-16)15-7-4-10-25-15/h12-15H,1-11H2,(H,21,24)(H,22,23)
InChIKeyJLOOFEJFFLIEHR-UHFFFAOYSA-N
XLogP3.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120533772
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526645
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
3-(4-chloro-3-fluorophenyl)-3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 120531633
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
5-[[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110381

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid (CID 122056923) is 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid is O=C(O)CCC(CC1CCCCC1)NC(=O)c1cnc(C2CCCO2)s1.
What is the InChIKey of 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The InChIKey is JLOOFEJFFLIEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c22-17(23)9-8-14(11-13-5-2-1-3-6-13)21-18(24)16-12-20-19(26-16)15-7-4-10-25-15/h12-15H,1-11H2,(H,21,24)(H,22,23).
What are the key properties of 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid has a molecular weight of 380.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 122056923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).