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

C8H12N2O2S — CID 45089529

IUPACmethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C(C)C
InChIInChI=1S/C8H12N2O2S/c1-4(2)5-6(7(11)12-3)13-8(9)10-5/h4H,1-3H3,(H2,9,10)
InChIKeyOHIQCQOTNVUDKX-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.64
Rot. Bonds2

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

methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 45089529) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID45089529
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C(C)C
InChIInChI=1S/C8H12N2O2S/c1-4(2)5-6(7(11)12-3)13-8(9)10-5/h4H,1-3H3,(H2,9,10)
InChIKeyOHIQCQOTNVUDKX-UHFFFAOYSA-N
XLogP1.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate (CID 45089529) is methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1C(C)C.
What is the InChIKey of methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is OHIQCQOTNVUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4(2)5-6(7(11)12-3)13-8(9)10-5/h4H,1-3H3,(H2,9,10).
What are the key properties of methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 45089529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).