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(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

C18H23N3O2S2 — CID 131935308

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cs1
InChIInChI=1S/C18H23N3O2S2/c1-14-19-16(12-25-14)17(22)21-6-4-18(5-7-21)13-20(8-9-23-18)11-15-3-2-10-24-15/h2-3,10,12H,4-9,11,13H2,1H3
InChIKeyDZIUHFQNWARZKY-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.02
Rot. Bonds3

About (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 131935308) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID131935308
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cs1
InChIInChI=1S/C18H23N3O2S2/c1-14-19-16(12-25-14)17(22)21-6-4-18(5-7-21)13-20(8-9-23-18)11-15-3-2-10-24-15/h2-3,10,12H,4-9,11,13H2,1H3
InChIKeyDZIUHFQNWARZKY-UHFFFAOYSA-N
XLogP3.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 131935308) is (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1nc(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is DZIUHFQNWARZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-14-19-16(12-25-14)17(22)21-6-4-18(5-7-21)13-20(8-9-23-18)11-15-3-2-10-24-15/h2-3,10,12H,4-9,11,13H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 377.54 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 131935308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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