methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate

C12H20N4O2S — CID 103378414

IUPACmethyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCN1CCCC(Nc2snc(N)c2C(=O)OC)C1
InChIInChI=1S/C12H20N4O2S/c1-3-16-6-4-5-8(7-16)14-11-9(12(17)18-2)10(13)15-19-11/h8,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyBWOBPKRLAVSEPH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.41
Rot. Bonds4

About methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103378414) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103378414
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Namemethyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCN1CCCC(Nc2snc(N)c2C(=O)OC)C1
InChIInChI=1S/C12H20N4O2S/c1-3-16-6-4-5-8(7-16)14-11-9(12(17)18-2)10(13)15-19-11/h8,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyBWOBPKRLAVSEPH-UHFFFAOYSA-N
XLogP1.41
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378417
methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378458
4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359375
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
CID 103378455
methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate
CID 103384590
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 66286445
methyl 3-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103380113
ethyl 3-amino-5-[(4-ethylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103384498
methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383179
methyl 3-amino-5-(2-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 103383598

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate (CID 103378414) is methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate is CCN1CCCC(Nc2snc(N)c2C(=O)OC)C1.
What is the InChIKey of methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is BWOBPKRLAVSEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-16-6-4-5-8(7-16)14-11-9(12(17)18-2)10(13)15-19-11/h8,14H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103378414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).