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

C14H18N4O2S — CID 128703207

IUPAC(3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide
SMILESCc1nsc(NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1C#N
InChIInChI=1S/C14H18N4O2S/c1-8-9(4-15)12(21-17-8)16-13(19)18-7-14(2,3)10-5-20-6-11(10)18/h10-11H,5-7H2,1-3H3,(H,16,19)/t10-,11+/m1/s1
InChIKeyHKFIODDQCVPBNE-MNOVXSKESA-N
MW306.39 g/mol
LogP2.21
Rot. Bonds1

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

(3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide (PubChem CID 128703207) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide
PubChem CID128703207
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide
SMILESCc1nsc(NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1C#N
InChIInChI=1S/C14H18N4O2S/c1-8-9(4-15)12(21-17-8)16-13(19)18-7-14(2,3)10-5-20-6-11(10)18/h10-11H,5-7H2,1-3H3,(H,16,19)/t10-,11+/m1/s1
InChIKeyHKFIODDQCVPBNE-MNOVXSKESA-N
XLogP2.21
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
The IUPAC name of (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide (CID 128703207) is (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
The canonical SMILES for (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide is Cc1nsc(NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1C#N.
What is the InChIKey of (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
The InChIKey is HKFIODDQCVPBNE-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-9(4-15)12(21-17-8)16-13(19)18-7-14(2,3)10-5-20-6-11(10)18/h10-11H,5-7H2,1-3H3,(H,16,19)/t10-,11+/m1/s1.
What are the key properties of (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide?
(3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-1-carboxamide is sourced from PubChem (CID 128703207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).