N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide

C19H23N3O2S — CID 97420725

IUPACN-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
SMILESCc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H23N3O2S/c1-14-17(25-13-21-14)8-22-7-16-9-24-12-19(16,11-22)10-20-18(23)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKeyTVQROIAITPJBTC-APWZRJJASA-N
MW357.48 g/mol
LogP2.33
Rot. Bonds5

About N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide

N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide (PubChem CID 97420725) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
PubChem CID97420725
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
SMILESCc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H23N3O2S/c1-14-17(25-13-21-14)8-22-7-16-9-24-12-19(16,11-22)10-20-18(23)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKeyTVQROIAITPJBTC-APWZRJJASA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide 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 N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide?
The IUPAC name of N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide (CID 97420725) is N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide?
The canonical SMILES for N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide is Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide?
The InChIKey is TVQROIAITPJBTC-APWZRJJASA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-17(25-13-21-14)8-22-7-16-9-24-12-19(16,11-22)10-20-18(23)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,20,23)/t16-,19+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide?
N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide is sourced from PubChem (CID 97420725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).