[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid

C17H18N2O6S — CID 87218784

IUPAC[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(-c2ccco2)c(C(=O)C2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C17H18N2O6S/c20-13(10-3-5-17(6-4-10)24-8-9-25-17)14-12(11-2-1-7-23-11)18-15(26-14)19-16(21)22/h1-2,7,10H,3-6,8-9H2,(H,18,19)(H,21,22)
InChIKeyFDNFRAMXIXVTHC-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.61
Rot. Bonds4

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

[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87218784) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87218784
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(-c2ccco2)c(C(=O)C2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C17H18N2O6S/c20-13(10-3-5-17(6-4-10)24-8-9-25-17)14-12(11-2-1-7-23-11)18-15(26-14)19-16(21)22/h1-2,7,10H,3-6,8-9H2,(H,18,19)(H,21,22)
InChIKeyFDNFRAMXIXVTHC-UHFFFAOYSA-N
XLogP3.61
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid (CID 87218784) is [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1nc(-c2ccco2)c(C(=O)C2CCC3(CC2)OCCO3)s1.
What is the InChIKey of [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is FDNFRAMXIXVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c20-13(10-3-5-17(6-4-10)24-8-9-25-17)14-12(11-2-1-7-23-11)18-15(26-14)19-16(21)22/h1-2,7,10H,3-6,8-9H2,(H,18,19)(H,21,22).
What are the key properties of [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 378.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).