N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

C16H26N4O2S — CID 131641405

IUPACN-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-17-14(21)9-20-6-7-22-13-16(12-20)3-2-5-19(11-16)10-15-18-4-8-23-15/h4,8H,2-3,5-7,9-13H2,1H3,(H,17,21)
InChIKeyOIUGFCGYVUANIQ-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.80
Rot. Bonds4

About N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (PubChem CID 131641405) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
PubChem CID131641405
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-17-14(21)9-20-6-7-22-13-16(12-20)3-2-5-19(11-16)10-15-18-4-8-23-15/h4,8H,2-3,5-7,9-13H2,1H3,(H,17,21)
InChIKeyOIUGFCGYVUANIQ-UHFFFAOYSA-N
XLogP0.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (CID 131641405) is N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is CNC(=O)CN1CCOCC2(CCCN(Cc3nccs3)C2)C1.
What is the InChIKey of N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The InChIKey is OIUGFCGYVUANIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-17-14(21)9-20-6-7-22-13-16(12-20)3-2-5-19(11-16)10-15-18-4-8-23-15/h4,8H,2-3,5-7,9-13H2,1H3,(H,17,21).
What are the key properties of N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide has a molecular weight of 338.48 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is sourced from PubChem (CID 131641405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).