ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate

C13H20N2O2S — CID 103488583

IUPACethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCC2CC2C)n1
InChIInChI=1S/C13H20N2O2S/c1-3-17-12(16)5-4-11-8-18-13(15-11)14-7-10-6-9(10)2/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyMMJUPPNWVQBOQN-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.71
Rot. Bonds7

About ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103488583) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
PubChem CID103488583
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCC2CC2C)n1
InChIInChI=1S/C13H20N2O2S/c1-3-17-12(16)5-4-11-8-18-13(15-11)14-7-10-6-9(10)2/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyMMJUPPNWVQBOQN-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[(2-methylcyclohexyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486514
ethyl 3-[2-[(3-methylcyclobutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488590
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[(2-propylcyclopropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114112567
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485990
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
ethyl 3-[2-[(2-methylthiolan-2-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488228
ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486583
ethyl 3-[2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103488217
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate (CID 103488583) is ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NCC2CC2C)n1.
What is the InChIKey of ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is MMJUPPNWVQBOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-12(16)5-4-11-8-18-13(15-11)14-7-10-6-9(10)2/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 268.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103488583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).