[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

C20H27N4O2S+ — CID 8910126

IUPAC[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCC(=O)N(c1nc(C[NH+](C)CC(=O)NC2CC2)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H26N4O2S/c1-13-5-8-18(14(2)9-13)24(15(3)25)20-22-17(12-27-20)10-23(4)11-19(26)21-16-6-7-16/h5,8-9,12,16H,6-7,10-11H2,1-4H3,(H,21,26)/p+1
InChIKeyCGCYTVCDZBSYNY-UHFFFAOYSA-O
MW387.53 g/mol
LogP1.74
Rot. Bonds7

About [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 8910126) has the molecular formula C20H27N4O2S+ and a molecular weight of 387.53 g/mol. Its IUPAC name is [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID8910126
Molecular FormulaC20H27N4O2S+
Molecular Weight387.53 g/mol
Exact Mass387.18
IUPAC Name[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCC(=O)N(c1nc(C[NH+](C)CC(=O)NC2CC2)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H26N4O2S/c1-13-5-8-18(14(2)9-13)24(15(3)25)20-22-17(12-27-20)10-23(4)11-19(26)21-16-6-7-16/h5,8-9,12,16H,6-7,10-11H2,1-4H3,(H,21,26)/p+1
InChIKeyCGCYTVCDZBSYNY-UHFFFAOYSA-O
XLogP1.74
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 8557799
2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 8909777
4-O-[[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851559
N-(2,4-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728153
N-[4-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55578087
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-chlorobenzoate
CID 7797118
N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 34252207
N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39013506
N-[4-[(4-acetyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55579144
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate
CID 8550219
N-[4-[(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55753620
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790863

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 8910126) is [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is CC(=O)N(c1nc(C[NH+](C)CC(=O)NC2CC2)cs1)c1ccc(C)cc1C.
What is the InChIKey of [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is CGCYTVCDZBSYNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N4O2S/c1-13-5-8-18(14(2)9-13)24(15(3)25)20-22-17(12-27-20)10-23(4)11-19(26)21-16-6-7-16/h5,8-9,12,16H,6-7,10-11H2,1-4H3,(H,21,26)/p+1.
What are the key properties of [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 387.53 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8910126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).