(3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C17H25N3O2S — CID 97387243

IUPAC(3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1
InChIInChI=1S/C17H25N3O2S/c1-12-14(23-11-19-12)9-20-6-4-15-17(10-20,5-7-22-15)16(21)18-8-13-2-3-13/h11,13,15H,2-10H2,1H3,(H,18,21)/t15-,17-/m1/s1
InChIKeyFXIDEDJQNFQDPF-NVXWUHKLSA-N
MW335.47 g/mol
LogP1.96
Rot. Bonds5

About (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97387243) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97387243
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1
InChIInChI=1S/C17H25N3O2S/c1-12-14(23-11-19-12)9-20-6-4-15-17(10-20,5-7-22-15)16(21)18-8-13-2-3-13/h11,13,15H,2-10H2,1H3,(H,18,21)/t15-,17-/m1/s1
InChIKeyFXIDEDJQNFQDPF-NVXWUHKLSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97387243) is (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1.
What is the InChIKey of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is FXIDEDJQNFQDPF-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-14(23-11-19-12)9-20-6-4-15-17(10-20,5-7-22-15)16(21)18-8-13-2-3-13/h11,13,15H,2-10H2,1H3,(H,18,21)/t15-,17-/m1/s1.
What are the key properties of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97387243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).