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

C18H27N3O2S — CID 97387576

IUPACN-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
SMILESCc1csc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NC(=O)CC3CC3)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-12-11-24-17(19-12)10-21-8-14-3-2-6-23-18(14)15(9-21)20-16(22)7-13-4-5-13/h11,13-15,18H,2-10H2,1H3,(H,20,22)/t14-,15+,18-/m0/s1
InChIKeyGADWJAULULPKJW-DAYGRLMNSA-N
MW349.50 g/mol
LogP2.35
Rot. Bonds5

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

N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide (PubChem CID 97387576) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
PubChem CID97387576
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
SMILESCc1csc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NC(=O)CC3CC3)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-12-11-24-17(19-12)10-21-8-14-3-2-6-23-18(14)15(9-21)20-16(22)7-13-4-5-13/h11,13-15,18H,2-10H2,1H3,(H,20,22)/t14-,15+,18-/m0/s1
InChIKeyGADWJAULULPKJW-DAYGRLMNSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 24790907
(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
N-[(4aS,8R,8aS)-6-(1,3-thiazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
CID 97364549
N-[(4aS,8R,8aS)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
CID 97364550
N-[(4aS,8R,8aS)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 127021406
N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 155824087
1-[(4aS,8R,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrrolidin-2-one
CID 125253411
(4aR,8R,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 134690032
N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
CID 42466315
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
CID 42466319
(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97364507
N-[[(3S,3aR,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]cyclopropanecarboxamide
CID 97459984

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide (CID 97387576) is N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide is Cc1csc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NC(=O)CC3CC3)C2)n1.
What is the InChIKey of N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The InChIKey is GADWJAULULPKJW-DAYGRLMNSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12-11-24-17(19-12)10-21-8-14-3-2-6-23-18(14)15(9-21)20-16(22)7-13-4-5-13/h11,13-15,18H,2-10H2,1H3,(H,20,22)/t14-,15+,18-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide has a molecular weight of 349.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 97387576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).