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

C12H17N3O4S — CID 110442604

IUPAC5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
SMILESCc1nc(NC(=O)CCCC(=O)O)sc1C(=O)N(C)C
InChIInChI=1S/C12H17N3O4S/c1-7-10(11(19)15(2)3)20-12(13-7)14-8(16)5-4-6-9(17)18/h4-6H2,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyCZHAZSXUEKAAPO-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.35
Rot. Bonds6

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

5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid (PubChem CID 110442604) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
PubChem CID110442604
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
SMILESCc1nc(NC(=O)CCCC(=O)O)sc1C(=O)N(C)C
InChIInChI=1S/C12H17N3O4S/c1-7-10(11(19)15(2)3)20-12(13-7)14-8(16)5-4-6-9(17)18/h4-6H2,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyCZHAZSXUEKAAPO-UHFFFAOYSA-N
XLogP1.35
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 110442608
2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4536187
N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 155918840
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 108801599
4-[(4-methyl-5-prop-2-enoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 39187263
N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 22196936
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 110451038
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
3-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]propanoic acid
CID 82058784

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid (CID 110442604) is 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid is Cc1nc(NC(=O)CCCC(=O)O)sc1C(=O)N(C)C.
What is the InChIKey of 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is CZHAZSXUEKAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-7-10(11(19)15(2)3)20-12(13-7)14-8(16)5-4-6-9(17)18/h4-6H2,1-3H3,(H,17,18)(H,13,14,16).
What are the key properties of 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 110442604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).