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

C22H19N3OS — CID 155808483

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H19N3OS/c26-21(15-23-14-16-6-2-1-3-7-16)24-18-12-10-17(11-13-18)22-25-19-8-4-5-9-20(19)27-22/h1-13,23H,14-15H2,(H,24,26)
InChIKeyNINJPMMTMWOQAN-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.69
Rot. Bonds6

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

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide (PubChem CID 155808483) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide
PubChem CID155808483
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H19N3OS/c26-21(15-23-14-16-6-2-1-3-7-16)24-18-12-10-17(11-13-18)22-25-19-8-4-5-9-20(19)27-22/h1-13,23H,14-15H2,(H,24,26)
InChIKeyNINJPMMTMWOQAN-UHFFFAOYSA-N
XLogP4.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 2216354
2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 5303623
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168524270
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide
CID 1344774
N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-bromopentanamide
CID 68701204
3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 112764595
4-[[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid
CID 74394106
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 17296174
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 885171
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide (CID 155808483) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide is O=C(CNCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide?
The InChIKey is NINJPMMTMWOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c26-21(15-23-14-16-6-2-1-3-7-16)24-18-12-10-17(11-13-18)22-25-19-8-4-5-9-20(19)27-22/h1-13,23H,14-15H2,(H,24,26).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide has a molecular weight of 373.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide is sourced from PubChem (CID 155808483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).