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

C25H37N5O2S — CID 155791946

IUPAC2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide
SMILESCc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)s1
InChIInChI=1S/C25H37N5O2S/c1-17(2)32-24-9-6-20-11-14-30(15-12-22(20)27-24)13-10-19-4-7-21(8-5-19)26-23(31)16-25-29-28-18(3)33-25/h6,9,17,19,21H,4-5,7-8,10-16H2,1-3H3,(H,26,31)
InChIKeyDDGNKEAPKHYRST-UHFFFAOYSA-N
MW471.67 g/mol
LogP3.74
Rot. Bonds8

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

2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide (PubChem CID 155791946) has the molecular formula C25H37N5O2S and a molecular weight of 471.67 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide
PubChem CID155791946
Molecular FormulaC25H37N5O2S
Molecular Weight471.67 g/mol
Exact Mass471.27
IUPAC Name2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide
SMILESCc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)s1
InChIInChI=1S/C25H37N5O2S/c1-17(2)32-24-9-6-20-11-14-30(15-12-22(20)27-24)13-10-19-4-7-21(8-5-19)26-23(31)16-25-29-28-18(3)33-25/h6,9,17,19,21H,4-5,7-8,10-16H2,1-3H3,(H,26,31)
InChIKeyDDGNKEAPKHYRST-UHFFFAOYSA-N
XLogP3.74
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide (CID 155791946) is 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide is Cc1nnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC(C)C)nc4CC3)CC2)s1.
What is the InChIKey of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is DDGNKEAPKHYRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2S/c1-17(2)32-24-9-6-20-11-14-30(15-12-22(20)27-24)13-10-19-4-7-21(8-5-19)26-23(31)16-25-29-28-18(3)33-25/h6,9,17,19,21H,4-5,7-8,10-16H2,1-3H3,(H,26,31).
What are the key properties of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide?
2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 471.67 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[4-[2-(2-propan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 155791946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).