N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C17H17N3OS2 — CID 10132219

IUPACN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(CC(=O)Nc3ncc(C4CCC4)s3)cc2s1
InChIInChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
InChIKeyYZXFATFOBBTPIG-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.51
Rot. Bonds4

About N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide

N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 10132219) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID10132219
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(CC(=O)Nc3ncc(C4CCC4)s3)cc2s1
InChIInChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
InChIKeyYZXFATFOBBTPIG-UHFFFAOYSA-N
XLogP4.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 10132219) is N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(CC(=O)Nc3ncc(C4CCC4)s3)cc2s1.
What is the InChIKey of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is YZXFATFOBBTPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21).
What are the key properties of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 343.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 10132219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).