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

C12H16N4O4S — CID 107438858

IUPAC1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1csc(C(C)NC(=O)N2CC(=O)NCC2C(=O)O)n1
InChIInChI=1S/C12H16N4O4S/c1-6-5-21-10(14-6)7(2)15-12(20)16-4-9(17)13-3-8(16)11(18)19/h5,7-8H,3-4H2,1-2H3,(H,13,17)(H,15,20)(H,18,19)
InChIKeyUYPJCJPNTYTTEJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.11
Rot. Bonds3

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

1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107438858) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107438858
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1csc(C(C)NC(=O)N2CC(=O)NCC2C(=O)O)n1
InChIInChI=1S/C12H16N4O4S/c1-6-5-21-10(14-6)7(2)15-12(20)16-4-9(17)13-3-8(16)11(18)19/h5,7-8H,3-4H2,1-2H3,(H,13,17)(H,15,20)(H,18,19)
InChIKeyUYPJCJPNTYTTEJ-UHFFFAOYSA-N
XLogP0.11
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106389297
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78923912
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 111428219
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438249
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106374589
1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433430
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97073669

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107438858) is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is Cc1csc(C(C)NC(=O)N2CC(=O)NCC2C(=O)O)n1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is UYPJCJPNTYTTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-6-5-21-10(14-6)7(2)15-12(20)16-4-9(17)13-3-8(16)11(18)19/h5,7-8H,3-4H2,1-2H3,(H,13,17)(H,15,20)(H,18,19).
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107438858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).