N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine

C17H29N3OS — CID 134689091

IUPACN-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCc1nc(CN2CC[C@H]3CO[C@@H](CN(C)C(C)C)[C@@H]3C2)cs1
InChIInChI=1S/C17H29N3OS/c1-12(2)19(4)9-17-16-8-20(6-5-14(16)10-21-17)7-15-11-22-13(3)18-15/h11-12,14,16-17H,5-10H2,1-4H3/t14-,16+,17-/m0/s1
InChIKeySBUFHSUMCABGFK-UAGQMJEPSA-N
MW323.51 g/mol
LogP2.63
Rot. Bonds5

About N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine

N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine (PubChem CID 134689091) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
PubChem CID134689091
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCc1nc(CN2CC[C@H]3CO[C@@H](CN(C)C(C)C)[C@@H]3C2)cs1
InChIInChI=1S/C17H29N3OS/c1-12(2)19(4)9-17-16-8-20(6-5-14(16)10-21-17)7-15-11-22-13(3)18-15/h11-12,14,16-17H,5-10H2,1-4H3/t14-,16+,17-/m0/s1
InChIKeySBUFHSUMCABGFK-UAGQMJEPSA-N
XLogP2.63
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine (CID 134689091) is N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine is Cc1nc(CN2CC[C@H]3CO[C@@H](CN(C)C(C)C)[C@@H]3C2)cs1.
What is the InChIKey of N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is SBUFHSUMCABGFK-UAGQMJEPSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-12(2)19(4)9-17-16-8-20(6-5-14(16)10-21-17)7-15-11-22-13(3)18-15/h11-12,14,16-17H,5-10H2,1-4H3/t14-,16+,17-/m0/s1.
What are the key properties of N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine?
N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 323.51 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 134689091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).