[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid

C13H17N3O5S — CID 22262860

IUPAC[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid
SMILESCc1nc(NC(=O)O)sc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17N3O5S/c1-8-9(22-11(14-8)15-12(18)19)10(17)16-4-2-13(3-5-16)20-6-7-21-13/h2-7H2,1H3,(H,14,15)(H,18,19)
InChIKeyYFIOQNHSNGWVFE-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.52
Rot. Bonds2

About [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid

[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid (PubChem CID 22262860) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid
PubChem CID22262860
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid
SMILESCc1nc(NC(=O)O)sc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17N3O5S/c1-8-9(22-11(14-8)15-12(18)19)10(17)16-4-2-13(3-5-16)20-6-7-21-13/h2-7H2,1H3,(H,14,15)(H,18,19)
InChIKeyYFIOQNHSNGWVFE-UHFFFAOYSA-N
XLogP1.52
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid (CID 22262860) is [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid is Cc1nc(NC(=O)O)sc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is YFIOQNHSNGWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-8-9(22-11(14-8)15-12(18)19)10(17)16-4-2-13(3-5-16)20-6-7-21-13/h2-7H2,1H3,(H,14,15)(H,18,19).
What are the key properties of [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid?
[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 327.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 22262860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).