[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium

C16H17N4OS2+ — CID 3341375

IUPAC[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium
SMILESCC(=O)Nc1nc(C)c(-c2csc([NH2+]c3ccc(C)cc3)n2)s1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)19-15-20-13(8-22-15)14-10(2)17-16(23-14)18-11(3)21/h4-8H,1-3H3,(H,19,20)(H,17,18,21)/p+1
InChIKeyFLVVAYJIHWYZCI-UHFFFAOYSA-O
MW345.47 g/mol
LogP3.37
Rot. Bonds4

About [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium

[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium (PubChem CID 3341375) has the molecular formula C16H17N4OS2+ and a molecular weight of 345.47 g/mol. Its IUPAC name is [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium.

Molecular Properties

Compound Name[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium
PubChem CID3341375
Molecular FormulaC16H17N4OS2+
Molecular Weight345.47 g/mol
Exact Mass345.08
IUPAC Name[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium
SMILESCC(=O)Nc1nc(C)c(-c2csc([NH2+]c3ccc(C)cc3)n2)s1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)19-15-20-13(8-22-15)14-10(2)17-16(23-14)18-11(3)21/h4-8H,1-3H3,(H,19,20)(H,17,18,21)/p+1
InChIKeyFLVVAYJIHWYZCI-UHFFFAOYSA-O
XLogP3.37
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
CID 3329207
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium bromide
CID 18527007
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium
CID 3313510
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
CID 4179693
4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazole-2-carbonyl]amino]benzoic acid
CID 11989643
N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 86649582
N-[4-methyl-5-[2-(piperidine-1-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 141164048
N-[5-[2-(1-benzofuran-5-ylmethyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 158093249
N-[5-[2-[(2-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11291515
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 46265245

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium?
The IUPAC name of [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium (CID 3341375) is [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium.
What is the SMILES notation for [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium?
The canonical SMILES for [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium is CC(=O)Nc1nc(C)c(-c2csc([NH2+]c3ccc(C)cc3)n2)s1.
What is the InChIKey of [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium?
The InChIKey is FLVVAYJIHWYZCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)19-15-20-13(8-22-15)14-10(2)17-16(23-14)18-11(3)21/h4-8H,1-3H3,(H,19,20)(H,17,18,21)/p+1.
What are the key properties of [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium?
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium has a molecular weight of 345.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium is sourced from PubChem (CID 3341375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).