2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid

C5H7N3O2S — CID 83695609

IUPAC2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(N)sc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-7-3-2(4(9)10)11-5(6)8-3/h7H,1H3,(H2,6,8)(H,9,10)
InChIKeyXVDQLSREAAYVTC-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid

2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 83695609) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID83695609
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(N)sc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-7-3-2(4(9)10)11-5(6)8-3/h7H,1H3,(H2,6,8)(H,9,10)
InChIKeyXVDQLSREAAYVTC-UHFFFAOYSA-N
XLogP0.47
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-(trichloromethyl)-1,3-thiazole-5-carboxylic acid
CID 82225663
ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
CID 67428223
1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone
CID 141308569
2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid
CID 53445151
2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 82306655
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 83529575

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid (CID 83695609) is 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid is CNc1nc(N)sc1C(=O)O.
What is the InChIKey of 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XVDQLSREAAYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-7-3-2(4(9)10)11-5(6)8-3/h7H,1H3,(H2,6,8)(H,9,10).
What are the key properties of 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid?
2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 173.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83695609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).