(4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

C17H29N3OS — CID 97364496

IUPAC(4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCc1ncsc1CN1C[C@@H]2CCCO[C@@H]2[C@H](N(C)C(C)C)C1
InChIInChI=1S/C17H29N3OS/c1-12(2)19(4)15-9-20(10-16-13(3)18-11-22-16)8-14-6-5-7-21-17(14)15/h11-12,14-15,17H,5-10H2,1-4H3/t14-,15+,17-/m0/s1
InChIKeyUZVUVTWASZJZSS-UXLLHSPISA-N
MW323.51 g/mol
LogP2.77
Rot. Bonds4

About (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

(4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (PubChem CID 97364496) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.

Molecular Properties

Compound Name(4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
PubChem CID97364496
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name(4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCc1ncsc1CN1C[C@@H]2CCCO[C@@H]2[C@H](N(C)C(C)C)C1
InChIInChI=1S/C17H29N3OS/c1-12(2)19(4)15-9-20(10-16-13(3)18-11-22-16)8-14-6-5-7-21-17(14)15/h11-12,14-15,17H,5-10H2,1-4H3/t14-,15+,17-/m0/s1
InChIKeyUZVUVTWASZJZSS-UXLLHSPISA-N
XLogP2.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The IUPAC name of (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (CID 97364496) is (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.
What is the SMILES notation for (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The canonical SMILES for (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is Cc1ncsc1CN1C[C@@H]2CCCO[C@@H]2[C@H](N(C)C(C)C)C1.
What is the InChIKey of (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The InChIKey is UZVUVTWASZJZSS-UXLLHSPISA-N. The full InChI is InChI=1S/C17H29N3OS/c1-12(2)19(4)15-9-20(10-16-13(3)18-11-22-16)8-14-6-5-7-21-17(14)15/h11-12,14-15,17H,5-10H2,1-4H3/t14-,15+,17-/m0/s1.
What are the key properties of (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
(4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine has a molecular weight of 323.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8R,8aS)-N-methyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is sourced from PubChem (CID 97364496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).