(2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride

C11H16ClN3O2S — CID 134069942

IUPAC(2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride
SMILESCc1csc(NC(=O)[C@@H]2C[C@H]3NCC[C@H]3O2)n1.Cl
InChIInChI=1S/C11H15N3O2S.ClH/c1-6-5-17-11(13-6)14-10(15)9-4-7-8(16-9)2-3-12-7;/h5,7-9,12H,2-4H2,1H3,(H,13,14,15);1H/t7-,8-,9+;/m1./s1
InChIKeyFHGXMBJMGGXCHV-ZXKHYXLDSA-N
MW289.79 g/mol
LogP1.33
Rot. Bonds2

About (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride

(2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride (PubChem CID 134069942) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride
PubChem CID134069942
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name(2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride
SMILESCc1csc(NC(=O)[C@@H]2C[C@H]3NCC[C@H]3O2)n1.Cl
InChIInChI=1S/C11H15N3O2S.ClH/c1-6-5-17-11(13-6)14-10(15)9-4-7-8(16-9)2-3-12-7;/h5,7-9,12H,2-4H2,1H3,(H,13,14,15);1H/t7-,8-,9+;/m1./s1
InChIKeyFHGXMBJMGGXCHV-ZXKHYXLDSA-N
XLogP1.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride (CID 134069942) is (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride is Cc1csc(NC(=O)[C@@H]2C[C@H]3NCC[C@H]3O2)n1.Cl.
What is the InChIKey of (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is FHGXMBJMGGXCHV-ZXKHYXLDSA-N. The full InChI is InChI=1S/C11H15N3O2S.ClH/c1-6-5-17-11(13-6)14-10(15)9-4-7-8(16-9)2-3-12-7;/h5,7-9,12H,2-4H2,1H3,(H,13,14,15);1H/t7-,8-,9+;/m1./s1.
What are the key properties of (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride?
(2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 289.79 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6aR)-N-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 134069942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).