N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide

C26H27N5O6S2 — CID 138374661

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 138374661) has the molecular formula C26H27N5O6S2 and a molecular weight of 569.67 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 138374661
• Molecular Formula: C26H27N5O6S2
• Molecular Weight: 569.67 g/mol
• Exact Mass: 569.14
• IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide
• SMILES: Cc1nnc(-c2ccc(-c3ccc4nc(C(C(=O)NCC(=O)NC5CC5)S(=O)(=O)CCCO)sc4c3)cc2)o1
• InChI: InChI=1S/C26H27N5O6S2/c1-15-30-31-25(37-15)17-5-3-16(4-6-17)18-7-10-20-21(13-18)38-26(29-20)23(39(35,36)12-2-11-32)24(34)27-14-22(33)28-19-8-9-19/h3-7,10,13,19,23,32H,2,8-9,11-12,14H2,1H3,(H,27,34)(H,28,33)
• InChIKey: JZZPBBGNWFPBED-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 164.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.67
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide (CID 138374661) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide is Cc1nnc(-c2ccc(-c3ccc4nc(C(C(=O)NCC(=O)NC5CC5)S(=O)(=O)CCCO)sc4c3)cc2)o1.

What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is JZZPBBGNWFPBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O6S2/c1-15-30-31-25(37-15)17-5-3-16(4-6-17)18-7-10-20-21(13-18)38-26(29-20)23(39(35,36)12-2-11-32)24(34)27-14-22(33)28-19-8-9-19/h3-7,10,13,19,23,32H,2,8-9,11-12,14H2,1H3,(H,27,34)(H,28,33).

What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide?

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 569.67 g/mol, XLogP of 2.55, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3-hydroxypropylsulfonyl)-2-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 138374661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).