N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide

C16H25N3O2S — CID 97475373

IUPACN-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide
SMILESCc1nc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)cs1
InChIInChI=1S/C16H25N3O2S/c1-11(2)15(20)17-8-16-9-19(4-13(16)6-21-10-16)5-14-7-22-12(3)18-14/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,20)/t13-,16+/m1/s1
InChIKeyBWTKWWOARKUKNU-CJNGLKHVSA-N
MW323.46 g/mol
LogP1.67
Rot. Bonds5

About N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide

N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide (PubChem CID 97475373) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide
PubChem CID97475373
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide
SMILESCc1nc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)cs1
InChIInChI=1S/C16H25N3O2S/c1-11(2)15(20)17-8-16-9-19(4-13(16)6-21-10-16)5-14-7-22-12(3)18-14/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,20)/t13-,16+/m1/s1
InChIKeyBWTKWWOARKUKNU-CJNGLKHVSA-N
XLogP1.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide (CID 97475373) is N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide is Cc1nc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)cs1.
What is the InChIKey of N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
The InChIKey is BWTKWWOARKUKNU-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11(2)15(20)17-8-16-9-19(4-13(16)6-21-10-16)5-14-7-22-12(3)18-14/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,20)/t13-,16+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 1.67, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 97475373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).