ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate

C14H23N3O2S — CID 80568601

IUPACethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-19-13(18)12-10-20-14(16-12)15-8-11(2)9-17-6-4-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyBDPWYKYIWZINSC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80568601) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80568601
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-19-13(18)12-10-20-14(16-12)15-8-11(2)9-17-6-4-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyBDPWYKYIWZINSC-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574664
ethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 78907467
ethyl 2-[(1-propan-2-ylcyclopropyl)methylamino]-1,3-thiazole-4-carboxylate
CID 114114672
ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 79371431
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 80568379
methyl 2-(2-pyrrolidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 115424261
ethyl 2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
CID 106044654
ethyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 114136482
ethyl 2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 80568319
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268166

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate (CID 80568601) is ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NCC(C)CN2CCCC2)n1.
What is the InChIKey of ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is BDPWYKYIWZINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-19-13(18)12-10-20-14(16-12)15-8-11(2)9-17-6-4-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).