ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate

C13H24N4O2S — CID 103384853

IUPACethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)CCCN(C)C
InChIInChI=1S/C13H24N4O2S/c1-5-17(9-7-8-16(3)4)12-10(11(14)15-20-12)13(18)19-6-2/h5-9H2,1-4H3,(H2,14,15)
InChIKeyGRRZFTLBGCTIQV-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.68
Rot. Bonds8

About ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103384853) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
PubChem CID103384853
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Nameethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)CCCN(C)C
InChIInChI=1S/C13H24N4O2S/c1-5-17(9-7-8-16(3)4)12-10(11(14)15-20-12)13(18)19-6-2/h5-9H2,1-4H3,(H2,14,15)
InChIKeyGRRZFTLBGCTIQV-UHFFFAOYSA-N
XLogP1.68
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383257
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381391
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
5-N-[3-(dimethylamino)propyl]-5-N-ethyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365992
methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103379735
ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380533
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103384742
4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349899
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380609

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate (CID 103384853) is ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(CC)CCCN(C)C.
What is the InChIKey of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is GRRZFTLBGCTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-17(9-7-8-16(3)4)12-10(11(14)15-20-12)13(18)19-6-2/h5-9H2,1-4H3,(H2,14,15).
What are the key properties of ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 300.43 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103384853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).