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

C15H23N3O2S — CID 118741564

IUPAC4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1CCC2(CCNCC2)CO1
InChIInChI=1S/C15H23N3O2S/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)
InChIKeyCPBFFIYQXPUHHQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.73
Rot. Bonds3

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

4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 118741564) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID118741564
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1CCC2(CCNCC2)CO1
InChIInChI=1S/C15H23N3O2S/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)
InChIKeyCPBFFIYQXPUHHQ-UHFFFAOYSA-N
XLogP1.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 118741565
4-methyl-N-(morpholin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 115323889
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
CID 136559330
5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
CID 146104826
N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)oxolane-3-carboxamide
CID 134078636
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 80711605
1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435889
N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166269415

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?
The IUPAC name of 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 118741564) is 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC1CCC2(CCNCC2)CO1.
What is the InChIKey of 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CPBFFIYQXPUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/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).
What are the key properties of 4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.73, 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 is sourced from PubChem (CID 118741564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).