(4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C16H25N3O2S — CID 97375262

IUPAC(4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(Cc2nccs2)CC12CCOCC2
InChIInChI=1S/C16H25N3O2S/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyPEFGURDFOWEWAW-CYBMUJFWSA-N
MW323.46 g/mol
LogP1.90
Rot. Bonds4

About (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 97375262) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID97375262
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(Cc2nccs2)CC12CCOCC2
InChIInChI=1S/C16H25N3O2S/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyPEFGURDFOWEWAW-CYBMUJFWSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97362893
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364978
(3aS,4R,7aS)-N-(2-methoxyethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364990
(3aS,4S,7aS)-N-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97387310
(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 164635377
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyloxane-3-carboxamide
CID 128974904
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]oxane-3-carboxamide
CID 128987759
(3S)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyloxane-3-carboxamide
CID 129336427
(3R)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyloxane-3-carboxamide
CID 129336428
(3R)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]oxane-3-carboxamide
CID 129343419
(3S)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]oxane-3-carboxamide
CID 129343420
(4,4-Difluoroazepan-1-yl)-[2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 131682674

Frequently Asked Questions

What is the IUPAC name of (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 97375262) is (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)[C@H]1CN(Cc2nccs2)CC12CCOCC2.
What is the InChIKey of (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is PEFGURDFOWEWAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 97375262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).