3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide

C19H18N4O2S — CID 146125202

IUPAC3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide
SMILESCC(=O)N(c1ccccc1)c1nc(CNc2cccc(C(N)=O)c2)cs1
InChIInChI=1S/C19H18N4O2S/c1-13(24)23(17-8-3-2-4-9-17)19-22-16(12-26-19)11-21-15-7-5-6-14(10-15)18(20)25/h2-10,12,21H,11H2,1H3,(H2,20,25)
InChIKeyHFCVTQQQTPCYRS-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.54
Rot. Bonds6

About 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide

3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide (PubChem CID 146125202) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide
PubChem CID146125202
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide
SMILESCC(=O)N(c1ccccc1)c1nc(CNc2cccc(C(N)=O)c2)cs1
InChIInChI=1S/C19H18N4O2S/c1-13(24)23(17-8-3-2-4-9-17)19-22-16(12-26-19)11-21-15-7-5-6-14(10-15)18(20)25/h2-10,12,21H,11H2,1H3,(H2,20,25)
InChIKeyHFCVTQQQTPCYRS-UHFFFAOYSA-N
XLogP3.54
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 39939448
methyl 3-[(2-amino-1,3-thiazol-4-yl)methylamino]benzoate
CID 96666425
2-O-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505745
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7783579
dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16610768
N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8636034
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8532550
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
CID 7797536
3-[[(E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]prop-2-enoyl]amino]benzamide
CID 24513280
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide?
The IUPAC name of 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide (CID 146125202) is 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide.
What is the SMILES notation for 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide?
The canonical SMILES for 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide is CC(=O)N(c1ccccc1)c1nc(CNc2cccc(C(N)=O)c2)cs1.
What is the InChIKey of 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide?
The InChIKey is HFCVTQQQTPCYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13(24)23(17-8-3-2-4-9-17)19-22-16(12-26-19)11-21-15-7-5-6-14(10-15)18(20)25/h2-10,12,21H,11H2,1H3,(H2,20,25).
What are the key properties of 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide?
3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide has a molecular weight of 366.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide is sourced from PubChem (CID 146125202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).