methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate

C10H14N2O2S — CID 107039853

IUPACmethyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NC2CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)5-4-8-6-15-10(12-8)11-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyQULFUIJTPXVOTI-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.82
Rot. Bonds5

About methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039853) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID107039853
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NC2CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)5-4-8-6-15-10(12-8)11-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyQULFUIJTPXVOTI-UHFFFAOYSA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-[(1,1-dioxothian-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040393
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
methyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039923
3-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486023
methyl 3-[2-[(2,2-dimethylcyclopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040507
methyl 3-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040484
ethyl 3-[2-[(3-methylcyclobutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488590
methyl 3-[2-(2-cyclobutylethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040630
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
methyl 3-[2-(1-cyclopropylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107040405
ethyl 3-[2-[(1,1-dioxothiolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485960
methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040089

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate (CID 107039853) is methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(NC2CC2)n1.
What is the InChIKey of methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is QULFUIJTPXVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-9(13)5-4-8-6-15-10(12-8)11-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 226.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).