methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate

C10H16N2O2S — CID 82115430

IUPACmethyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C(N)C(C)C)nc1C
InChIInChI=1S/C10H16N2O2S/c1-5(2)7(11)9-12-6(3)8(15-9)10(13)14-4/h5,7H,11H2,1-4H3
InChIKeyZZQJQJXGTONBFE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 82115430) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID82115430
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C(N)C(C)C)nc1C
InChIInChI=1S/C10H16N2O2S/c1-5(2)7(11)9-12-6(3)8(15-9)10(13)14-4/h5,7H,11H2,1-4H3
InChIKeyZZQJQJXGTONBFE-UHFFFAOYSA-N
XLogP1.89
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 79832555
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116705463
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570281
methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 106218801
methyl 2-(1-ethoxypropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569652
2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82545842
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024
methyl 2-[(3-carbamoylcyclobutyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 154772076
methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80569705

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 82115430) is methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(C(N)C(C)C)nc1C.
What is the InChIKey of methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZZQJQJXGTONBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5(2)7(11)9-12-6(3)8(15-9)10(13)14-4/h5,7H,11H2,1-4H3.
What are the key properties of methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 82115430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).