2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

C12H18N4O3S — CID 43521752

IUPAC2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCc1csc(NC(=O)CN2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O3S/c1-9-8-20-12(13-9)14-10(17)6-15-2-4-16(5-3-15)7-11(18)19/h8H,2-7H2,1H3,(H,18,19)(H,13,14,17)
InChIKeyPFCKNIIUIKRLLG-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.09
Rot. Bonds5

About 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (PubChem CID 43521752) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
PubChem CID43521752
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCc1csc(NC(=O)CN2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O3S/c1-9-8-20-12(13-9)14-10(17)6-15-2-4-16(5-3-15)7-11(18)19/h8H,2-7H2,1H3,(H,18,19)(H,13,14,17)
InChIKeyPFCKNIIUIKRLLG-UHFFFAOYSA-N
XLogP0.09
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63904542
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 113249885
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
2-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 97039019
2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119910055
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26362628
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34193850
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 79737494

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (CID 43521752) is 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is Cc1csc(NC(=O)CN2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The InChIKey is PFCKNIIUIKRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-9-8-20-12(13-9)14-10(17)6-15-2-4-16(5-3-15)7-11(18)19/h8H,2-7H2,1H3,(H,18,19)(H,13,14,17).
What are the key properties of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid has a molecular weight of 298.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).