4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C13H18N4O3S — CID 97450871

IUPAC4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESNC(=O)N1CCC2(CC1)CN(C(=O)c1cscn1)CCO2
InChIInChI=1S/C13H18N4O3S/c14-12(19)16-3-1-13(2-4-16)8-17(5-6-20-13)11(18)10-7-21-9-15-10/h7,9H,1-6,8H2,(H2,14,19)
InChIKeyAFPOEBKXSCNNGR-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.53
Rot. Bonds1

About 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97450871) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97450871
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESNC(=O)N1CCC2(CC1)CN(C(=O)c1cscn1)CCO2
InChIInChI=1S/C13H18N4O3S/c14-12(19)16-3-1-13(2-4-16)8-17(5-6-20-13)11(18)10-7-21-9-15-10/h7,9H,1-6,8H2,(H2,14,19)
InChIKeyAFPOEBKXSCNNGR-UHFFFAOYSA-N
XLogP0.53
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 52950036
4-(cyclopropylmethyl)-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471430
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
1-[9-(2-amino-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043300
[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 110156088
[(3S,5S)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97476020
4-(1,3-thiazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674305
(5S)-N-(2-morpholin-4-ylethyl)-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491465
[(4R,5R)-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 98776893
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131642458

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97450871) is 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is NC(=O)N1CCC2(CC1)CN(C(=O)c1cscn1)CCO2.
What is the InChIKey of 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is AFPOEBKXSCNNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-12(19)16-3-1-13(2-4-16)8-17(5-6-20-13)11(18)10-7-21-9-15-10/h7,9H,1-6,8H2,(H2,14,19).
What are the key properties of 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97450871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).