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

C23H31N3O2S — CID 26339872

IUPAC2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC[C@@H]2CCC3(CCN(CCCc4ccccc4)CC3)O2)cs1
InChIInChI=1S/C23H31N3O2S/c1-18-25-21(17-29-18)22(27)24-16-20-9-10-23(28-20)11-14-26(15-12-23)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,17,20H,5,8-16H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeySLNGDTNXTUTPBK-FQEVSTJZSA-N
MW413.59 g/mol
LogP3.83
Rot. Bonds7

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

2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 26339872) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID26339872
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC[C@@H]2CCC3(CCN(CCCc4ccccc4)CC3)O2)cs1
InChIInChI=1S/C23H31N3O2S/c1-18-25-21(17-29-18)22(27)24-16-20-9-10-23(28-20)11-14-26(15-12-23)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,17,20H,5,8-16H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeySLNGDTNXTUTPBK-FQEVSTJZSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[(2S)-8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 42247929
2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 45181727
2-methyl-N-[[(2S)-8-[(2,3,6-trifluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 42406722
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 118755620
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42405573
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
N-[[8-[[4-(dimethylamino)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45238728
N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42434300
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide
CID 42367487
N-[[8-(2-chloro-3-phenylprop-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 74610367

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 26339872) is 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(CCCc4ccccc4)CC3)O2)cs1.
What is the InChIKey of 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SLNGDTNXTUTPBK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-18-25-21(17-29-18)22(27)24-16-20-9-10-23(28-20)11-14-26(15-12-23)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,17,20H,5,8-16H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 26339872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).