2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C19H19N3OS — CID 3010837

IUPAC2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CNCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H19N3OS/c1-14-21-18(13-24-14)16-7-9-17(10-8-16)22-19(23)12-20-11-15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3,(H,22,23)
InChIKeyQXSDECRSKVXCDI-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.85
Rot. Bonds6

About 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 3010837) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID3010837
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CNCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H19N3OS/c1-14-21-18(13-24-14)16-7-9-17(10-8-16)22-19(23)12-20-11-15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3,(H,22,23)
InChIKeyQXSDECRSKVXCDI-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 3010837) is 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)CNCc3ccccc3)cc2)cs1.
What is the InChIKey of 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is QXSDECRSKVXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-21-18(13-24-14)16-7-9-17(10-8-16)22-19(23)12-20-11-15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3,(H,22,23).
What are the key properties of 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 3010837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).