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

C9H14N2O2S — CID 735344

IUPAC2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(N)sc1C(=O)OCC(C)C
InChIInChI=1S/C9H14N2O2S/c1-5(2)4-13-8(12)7-6(3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyQAIORICWWKEVHM-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.85
Rot. Bonds3

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

2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 735344) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID735344
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(N)sc1C(=O)OCC(C)C
InChIInChI=1S/C9H14N2O2S/c1-5(2)4-13-8(12)7-6(3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyQAIORICWWKEVHM-UHFFFAOYSA-N
XLogP1.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate (CID 735344) is 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(N)sc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is QAIORICWWKEVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5(2)4-13-8(12)7-6(3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11).
What are the key properties of 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).