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

C5H6N2O2S — CID 45032346

IUPAC2-(methylamino)-1,3-thiazole-4-carboxylic acid
SMILESCNc1nc(C(=O)O)cs1
InChIInChI=1S/C5H6N2O2S/c1-6-5-7-3(2-10-5)4(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyNNIZZJACYYYSFG-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.88
Rot. Bonds2

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

2-(methylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 45032346) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(methylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID45032346
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-(methylamino)-1,3-thiazole-4-carboxylic acid
SMILESCNc1nc(C(=O)O)cs1
InChIInChI=1S/C5H6N2O2S/c1-6-5-7-3(2-10-5)4(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyNNIZZJACYYYSFG-UHFFFAOYSA-N
XLogP0.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.88
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
Methyl 2-amino-1,3-thiazole-4-carboxylate
CID 840099
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
Ethyl 2-(methylamino)-1,3-thiazole-4-carboxylate
CID 19611072
2-(Ethylamino)-1,3-thiazole-4-carboxylic acid
CID 22250124
Potassium 2-(allylamino)-1,3-thiazole-4-carboxylate
CID 23678894
2-(Allylamino)thiazole-4-carboxylic acid
CID 2090946
2-(Isopropylamino)-1,3-thiazole-4-carboxylic acid
CID 11953490

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(methylamino)-1,3-thiazole-4-carboxylic acid (CID 45032346) is 2-(methylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(methylamino)-1,3-thiazole-4-carboxylic acid is CNc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(methylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NNIZZJACYYYSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-6-5-7-3(2-10-5)4(8)9/h2H,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-(methylamino)-1,3-thiazole-4-carboxylic acid?
2-(methylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 45032346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).