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

C18H24N4S2 — CID 129342859

IUPAC(2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1csc(CN(Cc2cnc(C3CC3)s2)[C@H]2CC23CCNCC3)n1
InChIInChI=1S/C18H24N4S2/c1-2-13(1)17-21-10-14(24-17)11-22(12-16-20-7-8-23-16)15-9-18(15)3-5-19-6-4-18/h7-8,10,13,15,19H,1-6,9,11-12H2/t15-/m0/s1
InChIKeyVIMQEUOLFOTBGX-HNNXBMFYSA-N
MW360.55 g/mol
LogP3.62
Rot. Bonds6

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

(2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129342859) has the molecular formula C18H24N4S2 and a molecular weight of 360.55 g/mol. Its IUPAC name is (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129342859
Molecular FormulaC18H24N4S2
Molecular Weight360.55 g/mol
Exact Mass360.14
IUPAC Name(2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1csc(CN(Cc2cnc(C3CC3)s2)[C@H]2CC23CCNCC3)n1
InChIInChI=1S/C18H24N4S2/c1-2-13(1)17-21-10-14(24-17)11-22(12-16-20-7-8-23-16)15-9-18(15)3-5-19-6-4-18/h7-8,10,13,15,19H,1-6,9,11-12H2/t15-/m0/s1
InChIKeyVIMQEUOLFOTBGX-HNNXBMFYSA-N
XLogP3.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129342859) is (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is c1csc(CN(Cc2cnc(C3CC3)s2)[C@H]2CC23CCNCC3)n1.
What is the InChIKey of (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is VIMQEUOLFOTBGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4S2/c1-2-13(1)17-21-10-14(24-17)11-22(12-16-20-7-8-23-16)15-9-18(15)3-5-19-6-4-18/h7-8,10,13,15,19H,1-6,9,11-12H2/t15-/m0/s1.
What are the key properties of (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 360.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129342859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).