2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

C7H10N2O2S — CID 10058249

IUPAC2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(N)nc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-3(2)5-4(6(10)11)9-7(8)12-5/h3H,1-2H3,(H2,8,9)(H,10,11)
InChIKeyOTIUHHMZMCCWCU-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.55
Rot. Bonds2

About 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 10058249) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID10058249
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(N)nc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-3(2)5-4(6(10)11)9-7(8)12-5/h3H,1-2H3,(H2,8,9)(H,10,11)
InChIKeyOTIUHHMZMCCWCU-UHFFFAOYSA-N
XLogP1.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
CID 737584
2-Amino-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 71308099
Methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
CID 737585
2-amino-5-methyl-1,3-thiazole-4-carboxylic Acid
CID 1512698
2-Chloro-5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 2764077
2-Amino-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 18323129
5-(1-Methylethyl)-4-thiazolecarboxylic acid
CID 22573054
2-Amino-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 23436450
2-Amino-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 87190141
2-Amino-5-butyl-1,3-thiazole-4-carboxylic acid
CID 164664245
Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
CID 86775516
2-Azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
CID 168719751

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 10058249) is 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is CC(C)c1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is OTIUHHMZMCCWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3(2)5-4(6(10)11)9-7(8)12-5/h3H,1-2H3,(H2,8,9)(H,10,11).
What are the key properties of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 10058249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).