N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

C26H36N4OS — CID 138670739

IUPACN-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(C5CC5)nc4CC3)CC2)s1
InChIInChI=1S/C26H36N4OS/c1-18-27-17-23(32-18)16-26(31)28-22-7-2-19(3-8-22)10-13-30-14-11-21-6-9-24(20-4-5-20)29-25(21)12-15-30/h6,9,17,19-20,22H,2-5,7-8,10-16H2,1H3,(H,28,31)
InChIKeyDDZDAEYFSGXDMU-UHFFFAOYSA-N
MW452.67 g/mol
LogP4.43
Rot. Bonds7

About N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 138670739) has the molecular formula C26H36N4OS and a molecular weight of 452.67 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
PubChem CID138670739
Molecular FormulaC26H36N4OS
Molecular Weight452.67 g/mol
Exact Mass452.26
IUPAC NameN-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(C5CC5)nc4CC3)CC2)s1
InChIInChI=1S/C26H36N4OS/c1-18-27-17-23(32-18)16-26(31)28-22-7-2-19(3-8-22)10-13-30-14-11-21-6-9-24(20-4-5-20)29-25(21)12-15-30/h6,9,17,19-20,22H,2-5,7-8,10-16H2,1H3,(H,28,31)
InChIKeyDDZDAEYFSGXDMU-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.67
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide with MolForge

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Related Compounds

N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138671398
N-[4-[2-[2-(2-methoxypropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138670386
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-(2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethyl]cyclohexyl]acetamide
CID 138671913
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671156
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671906
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
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-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138671499
N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 147788179
N-[[4-[2-[2-(fluoromethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 145452041
1-(2-methyl-1,3-thiazol-5-yl)-3-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethyl]cyclohexyl]propan-2-one
CID 147701405
2-(2-methyl-1,3-oxazol-5-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
CID 138671111

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (CID 138670739) is N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is Cc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(C5CC5)nc4CC3)CC2)s1.
What is the InChIKey of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is DDZDAEYFSGXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4OS/c1-18-27-17-23(32-18)16-26(31)28-22-7-2-19(3-8-22)10-13-30-14-11-21-6-9-24(20-4-5-20)29-25(21)12-15-30/h6,9,17,19-20,22H,2-5,7-8,10-16H2,1H3,(H,28,31).
What are the key properties of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 452.67 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 138670739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).