2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid

C7H8N2O2S — CID 54595590

IUPAC2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC2)s1
InChIInChI=1S/C7H8N2O2S/c10-6(11)5-3-8-7(12-5)9-4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyXBDIVKWPKGCLKB-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.42
Rot. Bonds3

About 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid

2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 54595590) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID54595590
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC2)s1
InChIInChI=1S/C7H8N2O2S/c10-6(11)5-3-8-7(12-5)9-4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyXBDIVKWPKGCLKB-UHFFFAOYSA-N
XLogP1.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
2-Amino-1,3-thiazole-5-carboxylic acid
CID 315243
2-N-Boc-Amino-Thiazole-5-Carboxylic Acid
CID 22271442
2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
CID 24229715
2-Acetamido-1,3-thiazole-5-carboxylic acid
CID 44118319
2-(Methylamino)-1,3-thiazole-5-carboxylic acid
CID 57971496
2-(Dimethylamino)-1,3-thiazole-5-carboxylic acid
CID 62753131
2-(2-Methylpropanamido)-1,3-thiazole-5-carboxylic acid
CID 138472962
Lithium 2-((2-methoxyethyl)amino)-1,3-thiazole-5-carboxylate
CID 138040570
2-(2-Hydroxyacetamido)-1,3-thiazole-5-carboxylic acid
CID 45089612
Methyl 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylate
CID 115409396
Fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
CID 143108154

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid (CID 54595590) is 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XBDIVKWPKGCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-6(11)5-3-8-7(12-5)9-4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 54595590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).