4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride

C15H24ClN3O2S — CID 118741563

IUPAC4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncsc1C(=O)NCC1CCC2(CCNCC2)CO1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-13(21-10-18-11)14(19)17-8-12-2-3-15(9-20-12)4-6-16-7-5-15;/h10,12,16H,2-9H2,1H3,(H,17,19);1H
InChIKeyILCSCSVPQPMFBP-UHFFFAOYSA-N
MW345.90 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride

4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 118741563) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID118741563
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncsc1C(=O)NCC1CCC2(CCNCC2)CO1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-13(21-10-18-11)14(19)17-8-12-2-3-15(9-20-12)4-6-16-7-5-15;/h10,12,16H,2-9H2,1H3,(H,17,19);1H
InChIKeyILCSCSVPQPMFBP-UHFFFAOYSA-N
XLogP2.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 118741563) is 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride is Cc1ncsc1C(=O)NCC1CCC2(CCNCC2)CO1.Cl.
What is the InChIKey of 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is ILCSCSVPQPMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-11-13(21-10-18-11)14(19)17-8-12-2-3-15(9-20-12)4-6-16-7-5-15;/h10,12,16H,2-9H2,1H3,(H,17,19);1H.
What are the key properties of 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 118741563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).