(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

C17H25N3O2S — CID 97364986

IUPAC(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1ncsc1CN1C[C@H](C(=O)NCC2CC2)[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C17H25N3O2S/c1-11-16(23-10-19-11)9-20-7-14(13-4-5-22-15(13)8-20)17(21)18-6-12-2-3-12/h10,12-15H,2-9H2,1H3,(H,18,21)/t13-,14-,15+/m0/s1
InChIKeyCUDDJHODWUZHFH-SOUVJXGZSA-N
MW335.47 g/mol
LogP1.81
Rot. Bonds5

About (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 97364986) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID97364986
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1ncsc1CN1C[C@H](C(=O)NCC2CC2)[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C17H25N3O2S/c1-11-16(23-10-19-11)9-20-7-14(13-4-5-22-15(13)8-20)17(21)18-6-12-2-3-12/h10,12-15H,2-9H2,1H3,(H,18,21)/t13-,14-,15+/m0/s1
InChIKeyCUDDJHODWUZHFH-SOUVJXGZSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 97364986) is (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is Cc1ncsc1CN1C[C@H](C(=O)NCC2CC2)[C@@H]2CCO[C@@H]2C1.
What is the InChIKey of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is CUDDJHODWUZHFH-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-16(23-10-19-11)9-20-7-14(13-4-5-22-15(13)8-20)17(21)18-6-12-2-3-12/h10,12-15H,2-9H2,1H3,(H,18,21)/t13-,14-,15+/m0/s1.
What are the key properties of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 97364986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).