N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C21H33N3O2S — CID 45189315

IUPACN-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCC3(CCN(CC4CCCCC4)CC3)O2)cs1
InChIInChI=1S/C21H33N3O2S/c1-16-23-19(15-27-16)20(25)22-13-18-7-8-21(26-18)9-11-24(12-10-21)14-17-5-3-2-4-6-17/h15,17-18H,2-14H2,1H3,(H,22,25)
InChIKeyOLDIMVNCSZJHBF-UHFFFAOYSA-N
MW391.58 g/mol
LogP3.78
Rot. Bonds5

About N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 45189315) has the molecular formula C21H33N3O2S and a molecular weight of 391.58 g/mol. Its IUPAC name is N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID45189315
Molecular FormulaC21H33N3O2S
Molecular Weight391.58 g/mol
Exact Mass391.23
IUPAC NameN-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCC3(CCN(CC4CCCCC4)CC3)O2)cs1
InChIInChI=1S/C21H33N3O2S/c1-16-23-19(15-27-16)20(25)22-13-18-7-8-21(26-18)9-11-24(12-10-21)14-17-5-3-2-4-6-17/h15,17-18H,2-14H2,1H3,(H,22,25)
InChIKeyOLDIMVNCSZJHBF-UHFFFAOYSA-N
XLogP3.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 45189315) is N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC2CCC3(CCN(CC4CCCCC4)CC3)O2)cs1.
What is the InChIKey of N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OLDIMVNCSZJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2S/c1-16-23-19(15-27-16)20(25)22-13-18-7-8-21(26-18)9-11-24(12-10-21)14-17-5-3-2-4-6-17/h15,17-18H,2-14H2,1H3,(H,22,25).
What are the key properties of N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 391.58 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45189315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).