(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

C16H26N4O2S — CID 97494895

IUPAC(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@]2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-14(21)19-6-3-4-16(10-19)11-20(7-8-22-12-16)15-17-5-9-23-15/h5,9,13H,3-4,6-8,10-12H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyTYZBUNDKOPZFJP-INIZCTEOSA-N
MW338.48 g/mol
LogP2.18
Rot. Bonds2

About (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (PubChem CID 97494895) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
PubChem CID97494895
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@]2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-14(21)19-6-3-4-16(10-19)11-20(7-8-22-12-16)15-17-5-9-23-15/h5,9,13H,3-4,6-8,10-12H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyTYZBUNDKOPZFJP-INIZCTEOSA-N
XLogP2.18
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 134070416
(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494547
11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 131656391
(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482915
2-(pyridin-2-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070430
N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide
CID 97398378
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
CID 97393771
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372938
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-2-ylmethanone
CID 97372929
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115

Frequently Asked Questions

What is the IUPAC name of (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The IUPAC name of (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (CID 97494895) is (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.
What is the SMILES notation for (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The canonical SMILES for (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is CC(C)NC(=O)N1CCC[C@]2(COCCN(c3nccs3)C2)C1.
What is the InChIKey of (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The InChIKey is TYZBUNDKOPZFJP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13(2)18-14(21)19-6-3-4-16(10-19)11-20(7-8-22-12-16)15-17-5-9-23-15/h5,9,13H,3-4,6-8,10-12H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is sourced from PubChem (CID 97494895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).