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

C14H21N3O2S — CID 97474538

IUPAC(3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H21N3O2S/c1-10-7-20-12(15-10)5-17-4-11-6-19-9-14(11,8-17)13(18)16(2)3/h7,11H,4-6,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyQRFNNNACIGIULE-BXUZGUMPSA-N
MW295.41 g/mol
LogP0.99
Rot. Bonds3

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

(3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97474538) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97474538
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H21N3O2S/c1-10-7-20-12(15-10)5-17-4-11-6-19-9-14(11,8-17)13(18)16(2)3/h7,11H,4-6,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyQRFNNNACIGIULE-BXUZGUMPSA-N
XLogP0.99
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-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)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97474538) is (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is Cc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N(C)C)C2)n1.
What is the InChIKey of (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is QRFNNNACIGIULE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-7-20-12(15-10)5-17-4-11-6-19-9-14(11,8-17)13(18)16(2)3/h7,11H,4-6,8-9H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97474538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).