2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid

C8H12N2O2S — CID 5019946

IUPAC2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CNc1nc(C(=O)O)cs1
InChIInChI=1S/C8H12N2O2S/c1-5(2)3-9-8-10-6(4-13-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyUFUMUUSTRGPREF-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid

2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 5019946) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID5019946
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CNc1nc(C(=O)O)cs1
InChIInChI=1S/C8H12N2O2S/c1-5(2)3-9-8-10-6(4-13-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyUFUMUUSTRGPREF-UHFFFAOYSA-N
XLogP1.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-1,3-thiazole-4-carboxylic acid
CID 840113
2-Aminothiazole-4-carboxylic acid
CID 1501882
2-Amino-1,3-thiazole-4-carboxylic acid, N-BOC protected
CID 1502051
2-Amino-4-thiazolecarboxylic acid hydrobromide
CID 16217717
2-(Cyclopropylamino)-1,3-thiazole-4-carboxylic acid
CID 45494574
4-Thiazolecarboxylic acid, 2-(ethylamino)-, ethyl ester
CID 15053541
2-(Ethylamino)-1,3-thiazole-4-carboxylic acid
CID 22250124
Potassium 2-(allylamino)-1,3-thiazole-4-carboxylate
CID 23678894
2-(Piperidin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 24213893
2-(Methylamino)-1,3-thiazole-4-carboxylic acid
CID 45032346
Ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate
CID 15053551
Ethyl 2-(butylamino)-1,3-thiazole-4-carboxylate
CID 78907486

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid (CID 5019946) is 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid is CC(C)CNc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UFUMUUSTRGPREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(2)3-9-8-10-6(4-13-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid?
2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 5019946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).