ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate

C15H25N3O2S — CID 79371431

IUPACethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC(C)CN1CCCC1
InChIInChI=1S/C15H25N3O2S/c1-4-20-15(19)13-12(3)17-21-14(13)16-9-11(2)10-18-7-5-6-8-18/h11,16H,4-10H2,1-3H3
InChIKeyCIZWCJQSYDVXGL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.77
Rot. Bonds7

About ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate

ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 79371431) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID79371431
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC(C)CN1CCCC1
InChIInChI=1S/C15H25N3O2S/c1-4-20-15(19)13-12(3)17-21-14(13)16-9-11(2)10-18-7-5-6-8-18/h11,16H,4-10H2,1-3H3
InChIKeyCIZWCJQSYDVXGL-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103380113
3-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)-1,2-thiazole-4-carboxylic acid
CID 79402857
ethyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 80568601
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371215
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79376002
ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 6470295
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79364101
ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375806
ethyl 5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376446
ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 79363751

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate (CID 79371431) is ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCC(C)CN1CCCC1.
What is the InChIKey of ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is CIZWCJQSYDVXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-20-15(19)13-12(3)17-21-14(13)16-9-11(2)10-18-7-5-6-8-18/h11,16H,4-10H2,1-3H3.
What are the key properties of ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79371431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).