2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide

C19H15N5O2S — CID 44515327

IUPAC2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1nc2ccc(NCc3ccc(-n4ccnc4)cc3)cc2s1
InChIInChI=1S/C19H15N5O2S/c20-18(26)17(25)19-23-15-6-3-13(9-16(15)27-19)22-10-12-1-4-14(5-2-12)24-8-7-21-11-24/h1-9,11,22H,10H2,(H2,20,26)
InChIKeyCISRKTDTMSORLY-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.76
Rot. Bonds6

About 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide

2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide (PubChem CID 44515327) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide
PubChem CID44515327
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1nc2ccc(NCc3ccc(-n4ccnc4)cc3)cc2s1
InChIInChI=1S/C19H15N5O2S/c20-18(26)17(25)19-23-15-6-3-13(9-16(15)27-19)22-10-12-1-4-14(5-2-12)24-8-7-21-11-24/h1-9,11,22H,10H2,(H2,20,26)
InChIKeyCISRKTDTMSORLY-UHFFFAOYSA-N
XLogP2.76
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[6-[(4-chlorophenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide
CID 143886127
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
2-[6-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide
CID 44515034
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide
CID 166229117
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 166218360
1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 75385310
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
CID 60931656
2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide
CID 106235358

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide?
The IUPAC name of 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide (CID 44515327) is 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide?
The canonical SMILES for 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide is NC(=O)C(=O)c1nc2ccc(NCc3ccc(-n4ccnc4)cc3)cc2s1.
What is the InChIKey of 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide?
The InChIKey is CISRKTDTMSORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c20-18(26)17(25)19-23-15-6-3-13(9-16(15)27-19)22-10-12-1-4-14(5-2-12)24-8-7-21-11-24/h1-9,11,22H,10H2,(H2,20,26).
What are the key properties of 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide?
2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide has a molecular weight of 377.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide is sourced from PubChem (CID 44515327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).