N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C25H37N5O2S — CID 138671314

IUPACN-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCC(CCN3CCc4sc(N5CC(C)(C)C5)nc4C3)CC2)on1
InChIInChI=1S/C25H37N5O2S/c1-17-12-20(32-28-17)13-23(31)26-19-6-4-18(5-7-19)8-10-29-11-9-22-21(14-29)27-24(33-22)30-15-25(2,3)16-30/h12,18-19H,4-11,13-16H2,1-3H3,(H,26,31)
InChIKeyNSWHWZWXBSGNEP-UHFFFAOYSA-N
MW471.67 g/mol
LogP3.95
Rot. Bonds7

About N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 138671314) has the molecular formula C25H37N5O2S and a molecular weight of 471.67 g/mol. Its IUPAC name is N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID138671314
Molecular FormulaC25H37N5O2S
Molecular Weight471.67 g/mol
Exact Mass471.27
IUPAC NameN-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCC(CCN3CCc4sc(N5CC(C)(C)C5)nc4C3)CC2)on1
InChIInChI=1S/C25H37N5O2S/c1-17-12-20(32-28-17)13-23(31)26-19-6-4-18(5-7-19)8-10-29-11-9-22-21(14-29)27-24(33-22)30-15-25(2,3)16-30/h12,18-19H,4-11,13-16H2,1-3H3,(H,26,31)
InChIKeyNSWHWZWXBSGNEP-UHFFFAOYSA-N
XLogP3.95
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide
CID 138670497
3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile
CID 158040654
1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one
CID 157069785
N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138671311
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 155347388
acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
CID 145451295
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138670784
N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138670446
N-[4-[2-[2-(4-methylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671002
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,3-thiazol-2-yl)acetamide
CID 138670439
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide
CID 138671400
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propanamide
CID 138671862

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 138671314) is N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)NC2CCC(CCN3CCc4sc(N5CC(C)(C)C5)nc4C3)CC2)on1.
What is the InChIKey of N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is NSWHWZWXBSGNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2S/c1-17-12-20(32-28-17)13-23(31)26-19-6-4-18(5-7-19)8-10-29-11-9-22-21(14-29)27-24(33-22)30-15-25(2,3)16-30/h12,18-19H,4-11,13-16H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 471.67 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 138671314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).