methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate

C12H20N2O2S — CID 80575671

IUPACmethyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCN(CCC)c1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H20N2O2S/c1-4-6-14(7-5-2)12-13-10(9-17-12)8-11(15)16-3/h9H,4-8H2,1-3H3
InChIKeyJWCQGDDSPNWUNS-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.48
Rot. Bonds7

About methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575671) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80575671
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCN(CCC)c1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H20N2O2S/c1-4-6-14(7-5-2)12-13-10(9-17-12)8-11(15)16-3/h9H,4-8H2,1-3H3
InChIKeyJWCQGDDSPNWUNS-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[bis(cyanomethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575367
methyl 2-[2-[2-cyanopropyl(ethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575733
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
methyl 2-[2-[2-cyanoethyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575232
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575881
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576618
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
CID 102998732
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate (CID 80575671) is methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate is CCCN(CCC)c1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is JWCQGDDSPNWUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-6-14(7-5-2)12-13-10(9-17-12)8-11(15)16-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 256.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).