5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

C13H18N2O5S — CID 110442608

IUPAC5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCc1nc(NC(=O)CCCC(=O)O)sc1C(=O)OC(C)C
InChIInChI=1S/C13H18N2O5S/c1-7(2)20-12(19)11-8(3)14-13(21-11)15-9(16)5-4-6-10(17)18/h7H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyUPNRHOSOUJJAEW-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.21
Rot. Bonds7

About 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (PubChem CID 110442608) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
PubChem CID110442608
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCc1nc(NC(=O)CCCC(=O)O)sc1C(=O)OC(C)C
InChIInChI=1S/C13H18N2O5S/c1-7(2)20-12(19)11-8(3)14-13(21-11)15-9(16)5-4-6-10(17)18/h7H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyUPNRHOSOUJJAEW-UHFFFAOYSA-N
XLogP2.21
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108795382
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 110442604
4-[(4-methyl-5-prop-2-enoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 39187263
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796730
propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110443791
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
propan-2-yl 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 40894347
propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 110439718

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (CID 110442608) is 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is Cc1nc(NC(=O)CCCC(=O)O)sc1C(=O)OC(C)C.
What is the InChIKey of 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is UPNRHOSOUJJAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-7(2)20-12(19)11-8(3)14-13(21-11)15-9(16)5-4-6-10(17)18/h7H,4-6H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 314.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 110442608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).