1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

C11H14N4O4S — CID 107438249

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1nc(NC(=O)N2CC(=O)NCC2C(=O)O)sc1C
InChIInChI=1S/C11H14N4O4S/c1-5-6(2)20-10(13-5)14-11(19)15-4-8(16)12-3-7(15)9(17)18/h7H,3-4H2,1-2H3,(H,12,16)(H,17,18)(H,13,14,19)
InChIKeyKHCBHERPWSMWTP-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.18
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107438249) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107438249
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1nc(NC(=O)N2CC(=O)NCC2C(=O)O)sc1C
InChIInChI=1S/C11H14N4O4S/c1-5-6(2)20-10(13-5)14-11(19)15-4-8(16)12-3-7(15)9(17)18/h7H,3-4H2,1-2H3,(H,12,16)(H,17,18)(H,13,14,19)
InChIKeyKHCBHERPWSMWTP-UHFFFAOYSA-N
XLogP0.18
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843387
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782049
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615
1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432808
1-[(2-aminophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438136
1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435082
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106374589
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 61464445
1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106389297
1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107437216
1-[(4-chloro-2-fluorophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438273

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107438249) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is Cc1nc(NC(=O)N2CC(=O)NCC2C(=O)O)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is KHCBHERPWSMWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-5-6(2)20-10(13-5)14-11(19)15-4-8(16)12-3-7(15)9(17)18/h7H,3-4H2,1-2H3,(H,12,16)(H,17,18)(H,13,14,19).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107438249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).