4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

C12H18N2O2S — CID 103256731

IUPAC4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1(C)C(NCc2csc(C(=O)O)n2)C1(C)C
InChIInChI=1S/C12H18N2O2S/c1-11(2)10(12(11,3)4)13-5-7-6-17-8(14-7)9(15)16/h6,10,13H,5H2,1-4H3,(H,15,16)
InChIKeyLTQNZDLROGNOAW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.37
Rot. Bonds4

About 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 103256731) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID103256731
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1(C)C(NCc2csc(C(=O)O)n2)C1(C)C
InChIInChI=1S/C12H18N2O2S/c1-11(2)10(12(11,3)4)13-5-7-6-17-8(14-7)9(15)16/h6,10,13H,5H2,1-4H3,(H,15,16)
InChIKeyLTQNZDLROGNOAW-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid with MolForge

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Related Compounds

4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 107853799
4-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103261428
4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103253204
4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103237562
4-[(2,3,4,5,6-pentafluoroanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103260899
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504
4-[(2-methylsulfinylethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103266185
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103246287
4-(methylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61024778
4-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 106278446

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (CID 103256731) is 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is CC1(C)C(NCc2csc(C(=O)O)n2)C1(C)C.
What is the InChIKey of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is LTQNZDLROGNOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-11(2)10(12(11,3)4)13-5-7-6-17-8(14-7)9(15)16/h6,10,13H,5H2,1-4H3,(H,15,16).
What are the key properties of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 103256731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).