2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate

C7H9N2O2S- — CID 86661298

IUPAC2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate
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)/p-1
InChIKeyOTIUHHMZMCCWCU-UHFFFAOYSA-M
MW185.23 g/mol
LogP0.21
Rot. Bonds2

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

2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 86661298) has the molecular formula C7H9N2O2S- and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID86661298
Molecular FormulaC7H9N2O2S-
Molecular Weight185.23 g/mol
Exact Mass185.04
IUPAC Name2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate
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)/p-1
InChIKeyOTIUHHMZMCCWCU-UHFFFAOYSA-M
XLogP0.21
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 2764077
methyl 2-methylsulfanyl-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 89470254
5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-amine
CID 61295642
methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 10775724
ethyl 2-amino-5-(3-chloro-1,2-dihydroxypropyl)-1,3-thiazole-4-carboxylate
CID 171862655
5-(1-fluoroethyl)-4-methyl-1,3-thiazol-2-amine
CID 83853616
methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 101067695
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid
CID 20788301
2,5-di(propan-2-yl)-1,3-thiazol-4-amine
CID 82373516
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
CID 54403172

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 86661298) is 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate is CC(C)c1sc(N)nc1C(=O)[O-].
What is the InChIKey of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is OTIUHHMZMCCWCU-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate?
2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 185.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86661298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).