ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate

C11H18N2O2S — CID 102765869

IUPACethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1scnc1C
InChIInChI=1S/C11H18N2O2S/c1-4-6-12-9(11(14)15-5-2)10-8(3)13-7-16-10/h7,9,12H,4-6H2,1-3H3
InChIKeyBBRBXARUSQCPAN-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate

ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate (PubChem CID 102765869) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
PubChem CID102765869
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1scnc1C
InChIInChI=1S/C11H18N2O2S/c1-4-6-12-9(11(14)15-5-2)10-8(3)13-7-16-10/h7,9,12H,4-6H2,1-3H3
InChIKeyBBRBXARUSQCPAN-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
CID 102765838
ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950
ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765940
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766001
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726
ethyl 2-(3-bromo-4-chloroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766129
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83202234
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 114984204
ethyl 2-[2-hydroxypropan-2-yloxy-(4-methyl-1,3-thiazol-5-yl)methyl]butanoate
CID 123274688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate (CID 102765869) is ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1scnc1C.
What is the InChIKey of ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate?
The InChIKey is BBRBXARUSQCPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-6-12-9(11(14)15-5-2)10-8(3)13-7-16-10/h7,9,12H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate?
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate has a molecular weight of 242.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate is sourced from PubChem (CID 102765869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).