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

C10H14N2O2S — CID 115423035

IUPACmethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCC2CC2)sc1C
InChIInChI=1S/C10H14N2O2S/c1-6-8(9(13)14-2)12-10(15-6)11-5-7-3-4-7/h7H,3-5H2,1-2H3,(H,11,12)
InChIKeyKQAQXIGDXYNVOL-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.06
Rot. Bonds4

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

methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115423035) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115423035
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCC2CC2)sc1C
InChIInChI=1S/C10H14N2O2S/c1-6-8(9(13)14-2)12-10(15-6)11-5-7-3-4-7/h7H,3-5H2,1-2H3,(H,11,12)
InChIKeyKQAQXIGDXYNVOL-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate (CID 115423035) is methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NCC2CC2)sc1C.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is KQAQXIGDXYNVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-8(9(13)14-2)12-10(15-6)11-5-7-3-4-7/h7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).