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

C15H23N3O2S — CID 97422247

IUPAC(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1
InChIInChI=1S/C15H23N3O2S/c1-10(2)17-14(19)15-7-18(4-12(15)6-20-8-15)5-13-11(3)16-9-21-13/h9-10,12H,4-8H2,1-3H3,(H,17,19)/t12-,15-/m1/s1
InChIKeyFLNSVYWRXYKVRL-IUODEOHRSA-N
MW309.44 g/mol
LogP1.42
Rot. Bonds4

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

(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97422247) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97422247
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1
InChIInChI=1S/C15H23N3O2S/c1-10(2)17-14(19)15-7-18(4-12(15)6-20-8-15)5-13-11(3)16-9-21-13/h9-10,12H,4-8H2,1-3H3,(H,17,19)/t12-,15-/m1/s1
InChIKeyFLNSVYWRXYKVRL-IUODEOHRSA-N
XLogP1.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97422247) is (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1.
What is the InChIKey of (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is FLNSVYWRXYKVRL-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10(2)17-14(19)15-7-18(4-12(15)6-20-8-15)5-13-11(3)16-9-21-13/h9-10,12H,4-8H2,1-3H3,(H,17,19)/t12-,15-/m1/s1.
What are the key properties of (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97422247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).