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

C10H16N2O2S — CID 115422046

IUPAC2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(C(N)C(C)(C)C)nc1C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-5-6(9(13)14)12-8(15-5)7(11)10(2,3)4/h7H,11H2,1-4H3,(H,13,14)
InChIKeyPOFUNPHFROQZFV-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.20
Rot. Bonds2

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

2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115422046) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115422046
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(C(N)C(C)(C)C)nc1C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-5-6(9(13)14)12-8(15-5)7(11)10(2,3)4/h7H,11H2,1-4H3,(H,13,14)
InChIKeyPOFUNPHFROQZFV-UHFFFAOYSA-N
XLogP2.20
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2,2-dimethylpropyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114358550
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024
(2S)-2-[[2-[(1S)-1-amino-2-methylpropyl]-5-methyl-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 25209011
5-methyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 115423620
5-amino-2-tert-butyl-1,3-thiazole-4-carboxylic acid
CID 68547853
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337687
5-methyl-2-(3-methylbutyl)-1,3-thiazole-4-carboxylic acid
CID 115422774
2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 110477259
2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422730
5-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115422735

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115422046) is 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(C(N)C(C)(C)C)nc1C(=O)O.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is POFUNPHFROQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-6(9(13)14)12-8(15-5)7(11)10(2,3)4/h7H,11H2,1-4H3,(H,13,14).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 228.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115422046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).