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

C24H36N4OS2 — CID 138671913

IUPAC2-(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
SMILESCCCc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3cnc(C)s3)CC1)CC2
InChIInChI=1S/C24H36N4OS2/c1-3-4-24-27-21-10-13-28(14-11-22(21)31-24)12-9-18-5-7-19(8-6-18)26-23(29)15-20-16-25-17(2)30-20/h16,18-19H,3-15H2,1-2H3,(H,26,29)
InChIKeyWSYJJZYEZPJIMW-UHFFFAOYSA-N
MW460.71 g/mol
LogP4.57
Rot. Bonds8

About 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

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 (PubChem CID 138671913) has the molecular formula C24H36N4OS2 and a molecular weight of 460.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID138671913
Molecular FormulaC24H36N4OS2
Molecular Weight460.71 g/mol
Exact Mass460.23
IUPAC Name2-(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
SMILESCCCc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3cnc(C)s3)CC1)CC2
InChIInChI=1S/C24H36N4OS2/c1-3-4-24-27-21-10-13-28(14-11-22(21)31-24)12-9-18-5-7-19(8-6-18)26-23(29)15-20-16-25-17(2)30-20/h16,18-19H,3-15H2,1-2H3,(H,26,29)
InChIKeyWSYJJZYEZPJIMW-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.71
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 145451512
1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 159431458
1-[4-[2-[2-(2-methylazetidin-1-yl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 161179939
2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671941
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3cnc(C)s3)CC1)CC2.
What is the InChIKey of 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?
The InChIKey is WSYJJZYEZPJIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4OS2/c1-3-4-24-27-21-10-13-28(14-11-22(21)31-24)12-9-18-5-7-19(8-6-18)26-23(29)15-20-16-25-17(2)30-20/h16,18-19H,3-15H2,1-2H3,(H,26,29).
What are the key properties of 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?
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 has a molecular weight of 460.71 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138671913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).