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

C11H16N2O2S — CID 116526353

IUPACethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCC2CC2)sc1C
InChIInChI=1S/C11H16N2O2S/c1-3-15-10(14)9-7(2)16-11(13-9)12-6-8-4-5-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyHUADIXHXDKXBDQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.45
Rot. Bonds5

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

ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116526353) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116526353
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCC2CC2)sc1C
InChIInChI=1S/C11H16N2O2S/c1-3-15-10(14)9-7(2)16-11(13-9)12-6-8-4-5-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyHUADIXHXDKXBDQ-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554
ethyl 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526599
ethyl 5-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526940
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526911
ethyl 5-methyl-2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526634
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
ethyl 5-acetyl-2-(thian-4-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 107378342
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
methyl 5-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306772
ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate
CID 116526955

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate (CID 116526353) is ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCC2CC2)sc1C.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is HUADIXHXDKXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-15-10(14)9-7(2)16-11(13-9)12-6-8-4-5-8/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).