2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid

C12H17N3O3S — CID 43521223

IUPAC2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid
SMILESCc1nc(C)c(C(=O)N2CCN(CC(=O)O)CC2)s1
InChIInChI=1S/C12H17N3O3S/c1-8-11(19-9(2)13-8)12(18)15-5-3-14(4-6-15)7-10(16)17/h3-7H2,1-2H3,(H,16,17)
InChIKeyAQFOGBPJNVKTLT-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.60
Rot. Bonds3

About 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid

2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 43521223) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid
PubChem CID43521223
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid
SMILESCc1nc(C)c(C(=O)N2CCN(CC(=O)O)CC2)s1
InChIInChI=1S/C12H17N3O3S/c1-8-11(19-9(2)13-8)12(18)15-5-3-14(4-6-15)7-10(16)17/h3-7H2,1-2H3,(H,16,17)
InChIKeyAQFOGBPJNVKTLT-UHFFFAOYSA-N
XLogP0.60
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49507163
2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 51075868
Methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate
CID 51083211
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 53501465
4-methyl-N-(2-piperidin-1-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53501831
(4-Ethylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 53505330
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53505856
(4-Methyl-1,3-thiazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 53506231
4-methyl-N-(2-morpholin-4-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53516080
(2,4-Dimethyl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 53520321
N,N-bis(2-methoxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53524272
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 56812771

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid (CID 43521223) is 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid is Cc1nc(C)c(C(=O)N2CCN(CC(=O)O)CC2)s1.
What is the InChIKey of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is AQFOGBPJNVKTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-11(19-9(2)13-8)12(18)15-5-3-14(4-6-15)7-10(16)17/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).