5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C14H26N4OS — CID 103360238

IUPAC5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(CNc2snc(N)c2OC(C)C)CC1
InChIInChI=1S/C14H26N4OS/c1-4-18-7-5-11(6-8-18)9-16-14-12(19-10(2)3)13(15)17-20-14/h10-11,16H,4-9H2,1-3H3,(H2,15,17)
InChIKeyLJGDDUCNZRLHJF-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.66
Rot. Bonds6

About 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103360238) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103360238
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(CNc2snc(N)c2OC(C)C)CC1
InChIInChI=1S/C14H26N4OS/c1-4-18-7-5-11(6-8-18)9-16-14-12(19-10(2)3)13(15)17-20-14/h10-11,16H,4-9H2,1-3H3,(H2,15,17)
InChIKeyLJGDDUCNZRLHJF-UHFFFAOYSA-N
XLogP2.66
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103360238) is 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CCN1CCC(CNc2snc(N)c2OC(C)C)CC1.
What is the InChIKey of 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is LJGDDUCNZRLHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-4-18-7-5-11(6-8-18)9-16-14-12(19-10(2)3)13(15)17-20-14/h10-11,16H,4-9H2,1-3H3,(H2,15,17).
What are the key properties of 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 298.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).