2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C19H15N3OS2 — CID 58470043

IUPAC2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(Cc1nc2ccc(-c3ccccc3)cc2s1)NCc1nccs1
InChIInChI=1S/C19H15N3OS2/c23-17(21-12-19-20-8-9-24-19)11-18-22-15-7-6-14(10-16(15)25-18)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,23)
InChIKeyFHVHZEWYIFTPFI-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.28
Rot. Bonds5

About 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 58470043) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID58470043
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(Cc1nc2ccc(-c3ccccc3)cc2s1)NCc1nccs1
InChIInChI=1S/C19H15N3OS2/c23-17(21-12-19-20-8-9-24-19)11-18-22-15-7-6-14(10-16(15)25-18)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,23)
InChIKeyFHVHZEWYIFTPFI-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 58470188
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470194
N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470271
N-(4-oxobutyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 88894975
2-[3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 58470538
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470353
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58470275
N-(3-methoxy-2-oxopropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470073
N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470038
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
N-[2-(but-3-ynylamino)-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 88895122
N-(5-methylsulfonyl-2-oxopentyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470501

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 58470043) is 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C(Cc1nc2ccc(-c3ccccc3)cc2s1)NCc1nccs1.
What is the InChIKey of 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is FHVHZEWYIFTPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c23-17(21-12-19-20-8-9-24-19)11-18-22-15-7-6-14(10-16(15)25-18)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,23).
What are the key properties of 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 58470043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).