(4aR,8R,8aR)-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 134690049

IUPAC(4aR,8R,8aR)-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-/m1/s1
InChIKeyUZVUVTWASZJZSS-BFYDXBDKSA-N
MW323.51 g/mol
LogP2.77
Rot. Bonds4

About (4aR,8R,8aR)-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

(4aR,8R,8aR)-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 134690049) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is (4aR,8R,8aR)-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(4aR,8R,8aR)-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 CID134690049
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name(4aR,8R,8aR)-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-/m1/s1
InChIKeyUZVUVTWASZJZSS-BFYDXBDKSA-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 (4aR,8R,8aR)-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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Related Compounds

(4aS,8R,8aS)-N-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97364492
(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
(3R,5S)-3-ethoxy-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419454
(3S,5S)-3-ethoxy-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419682
(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;bis(2,2,2-trifluoroacetic acid)
CID 127021645
N-[(4aR,8S,8aR)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-methoxyacetamide
CID 134689418
(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824065
(4aS,8R,8aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 155836778
(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155855715
rac-(4aS,6aS,10aS,10bS)-5-[(5-methyl-1,3-thiazol-4-yl)methyl]decahydro-1H,10aH-dipyrano[4,3-b:4',3'-d]pyridin-10a-ol
CID 118793075
8-[(4-Methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 132337138
(4aR,8S,8aR)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 134689422

Frequently Asked Questions

What is the IUPAC name of (4aR,8R,8aR)-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 (4aR,8R,8aR)-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 134690049) is (4aR,8R,8aR)-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 (4aR,8R,8aR)-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 (4aR,8R,8aR)-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 (4aR,8R,8aR)-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-BFYDXBDKSA-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-/m1/s1.
What are the key properties of (4aR,8R,8aR)-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?
(4aR,8R,8aR)-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 (4aR,8R,8aR)-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 134690049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).