2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole

C15H20N4S2 — CID 97369817

IUPAC2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(Cc2nccs2)C3)cs1
InChIInChI=1S/C15H20N4S2/c1-12-17-13(8-21-12)6-18-4-2-15(9-18)10-19(11-15)7-14-16-3-5-20-14/h3,5,8H,2,4,6-7,9-11H2,1H3
InChIKeyJWGSZHXZKJZKTQ-UHFFFAOYSA-N
MW320.49 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole

2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (PubChem CID 97369817) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
PubChem CID97369817
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC Name2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(Cc2nccs2)C3)cs1
InChIInChI=1S/C15H20N4S2/c1-12-17-13(8-21-12)6-18-4-2-15(9-18)10-19(11-15)7-14-16-3-5-20-14/h3,5,8H,2,4,6-7,9-11H2,1H3
InChIKeyJWGSZHXZKJZKTQ-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (CID 97369817) is 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC3(C2)CN(Cc2nccs2)C3)cs1.
What is the InChIKey of 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The InChIKey is JWGSZHXZKJZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S2/c1-12-17-13(8-21-12)6-18-4-2-15(9-18)10-19(11-15)7-14-16-3-5-20-14/h3,5,8H,2,4,6-7,9-11H2,1H3.
What are the key properties of 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole has a molecular weight of 320.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97369817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).