4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine

C12H22N4OS — CID 103362242

IUPAC4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)C1CCN(C)CC1
InChIInChI=1S/C12H22N4OS/c1-4-17-10-11(13)14-18-12(10)16(3)9-5-7-15(2)8-6-9/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyJHJLRZWWZOXTIY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.65
Rot. Bonds4

About 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103362242) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103362242
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)C1CCN(C)CC1
InChIInChI=1S/C12H22N4OS/c1-4-17-10-11(13)14-18-12(10)16(3)9-5-7-15(2)8-6-9/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyJHJLRZWWZOXTIY-UHFFFAOYSA-N
XLogP1.65
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
ethyl 3-amino-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103381836
4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103360114
4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103383326
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798
4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359375

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (CID 103362242) is 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)C1CCN(C)CC1.
What is the InChIKey of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is JHJLRZWWZOXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-17-10-11(13)14-18-12(10)16(3)9-5-7-15(2)8-6-9/h9H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).