(2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

C19H25N3O3S — CID 137342393

IUPAC(2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
SMILESCc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(Cc2scnc2C)C3)c(C)o1
InChIInChI=1S/C19H25N3O3S/c1-12-4-17(14(3)25-12)19(23)22-6-15-5-21(7-16(22)10-24-9-15)8-18-13(2)20-11-26-18/h4,11,15-16H,5-10H2,1-3H3/t15-,16-/m0/s1
InChIKeyKCFUPGYYOYQQTB-HOTGVXAUSA-N
MW375.49 g/mol
LogP2.63
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

(2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone (PubChem CID 137342393) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
PubChem CID137342393
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
SMILESCc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(Cc2scnc2C)C3)c(C)o1
InChIInChI=1S/C19H25N3O3S/c1-12-4-17(14(3)25-12)19(23)22-6-15-5-21(7-16(22)10-24-9-15)8-18-13(2)20-11-26-18/h4,11,15-16H,5-10H2,1-3H3/t15-,16-/m0/s1
InChIKeyKCFUPGYYOYQQTB-HOTGVXAUSA-N
XLogP2.63
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone 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 (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone (CID 137342393) is (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone is Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(Cc2scnc2C)C3)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
The InChIKey is KCFUPGYYOYQQTB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-4-17(14(3)25-12)19(23)22-6-15-5-21(7-16(22)10-24-9-15)8-18-13(2)20-11-26-18/h4,11,15-16H,5-10H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone has a molecular weight of 375.49 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone is sourced from PubChem (CID 137342393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).