(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C17H24N4S2 — CID 129473677

IUPAC(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCc1csc(CN2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1
InChIInChI=1S/C17H24N4S2/c1-13-12-23-16(19-13)11-21-6-3-17(4-7-21)9-14(17)20(2)10-15-18-5-8-22-15/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyBMKCEOUZCYZYHK-AWEZNQCLSA-N
MW348.54 g/mol
LogP3.39
Rot. Bonds5

About (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129473677) has the molecular formula C17H24N4S2 and a molecular weight of 348.54 g/mol. Its IUPAC name is (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129473677
Molecular FormulaC17H24N4S2
Molecular Weight348.54 g/mol
Exact Mass348.14
IUPAC Name(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCc1csc(CN2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1
InChIInChI=1S/C17H24N4S2/c1-13-12-23-16(19-13)11-21-6-3-17(4-7-21)9-14(17)20(2)10-15-18-5-8-22-15/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyBMKCEOUZCYZYHK-AWEZNQCLSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129473677) is (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is Cc1csc(CN2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1.
What is the InChIKey of (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is BMKCEOUZCYZYHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4S2/c1-13-12-23-16(19-13)11-21-6-3-17(4-7-21)9-14(17)20(2)10-15-18-5-8-22-15/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 348.54 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129473677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).