(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C16H22N4OS — CID 129325217

IUPAC(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCc1cnc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)o1
InChIInChI=1S/C16H22N4OS/c1-12-9-19-14(21-12)10-20(11-15-18-6-7-22-15)13-8-16(13)2-4-17-5-3-16/h6-7,9,13,17H,2-5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyXDTVHEUJNOEWFF-ZDUSSCGKSA-N
MW318.45 g/mol
LogP2.58
Rot. Bonds5

About (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129325217) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129325217
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCc1cnc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)o1
InChIInChI=1S/C16H22N4OS/c1-12-9-19-14(21-12)10-20(11-15-18-6-7-22-15)13-8-16(13)2-4-17-5-3-16/h6-7,9,13,17H,2-5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyXDTVHEUJNOEWFF-ZDUSSCGKSA-N
XLogP2.58
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129325217) is (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is Cc1cnc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)o1.
What is the InChIKey of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is XDTVHEUJNOEWFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-9-19-14(21-12)10-20(11-15-18-6-7-22-15)13-8-16(13)2-4-17-5-3-16/h6-7,9,13,17H,2-5,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 318.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129325217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).