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

C16H21N3S2 — CID 97472544

IUPAC2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(Cc2ccsc2)C3)cs1
InChIInChI=1S/C16H21N3S2/c1-13-17-15(9-21-13)7-18-4-3-16(10-18)11-19(12-16)6-14-2-5-20-8-14/h2,5,8-9H,3-4,6-7,10-12H2,1H3
InChIKeyRSXQRHQQQFJADS-UHFFFAOYSA-N
MW319.50 g/mol
LogP3.22
Rot. Bonds4

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

2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (PubChem CID 97472544) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
PubChem CID97472544
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC Name2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(Cc2ccsc2)C3)cs1
InChIInChI=1S/C16H21N3S2/c1-13-17-15(9-21-13)7-18-4-3-16(10-18)11-19(12-16)6-14-2-5-20-8-14/h2,5,8-9H,3-4,6-7,10-12H2,1H3
InChIKeyRSXQRHQQQFJADS-UHFFFAOYSA-N
XLogP3.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (CID 97472544) is 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC3(C2)CN(Cc2ccsc2)C3)cs1.
What is the InChIKey of 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The InChIKey is RSXQRHQQQFJADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-13-17-15(9-21-13)7-18-4-3-16(10-18)11-19(12-16)6-14-2-5-20-8-14/h2,5,8-9H,3-4,6-7,10-12H2,1H3.
What are the key properties of 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole has a molecular weight of 319.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97472544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).