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

C15H16N5O3S3+ — CID 3313510

IUPAC[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium
SMILESCC(=O)Nc1nc(C)c(-c2csc([NH2+]c3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C15H15N5O3S3/c1-8-13(25-15(17-8)18-9(2)21)12-7-24-14(20-12)19-10-3-5-11(6-4-10)26(16,22)23/h3-7H,1-2H3,(H,19,20)(H2,16,22,23)(H,17,18,21)/p+1
InChIKeyVCGKDKBCSLTWKS-UHFFFAOYSA-O
MW410.53 g/mol
LogP1.71
Rot. Bonds5

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

[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium (PubChem CID 3313510) has the molecular formula C15H16N5O3S3+ and a molecular weight of 410.53 g/mol. Its IUPAC name is [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium.

Molecular Properties

Compound Name[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium
PubChem CID3313510
Molecular FormulaC15H16N5O3S3+
Molecular Weight410.53 g/mol
Exact Mass410.04
IUPAC Name[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium
SMILESCC(=O)Nc1nc(C)c(-c2csc([NH2+]c3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C15H15N5O3S3/c1-8-13(25-15(17-8)18-9(2)21)12-7-24-14(20-12)19-10-3-5-11(6-4-10)26(16,22)23/h3-7H,1-2H3,(H,19,20)(H2,16,22,23)(H,17,18,21)/p+1
InChIKeyVCGKDKBCSLTWKS-UHFFFAOYSA-O
XLogP1.71
TPSA131.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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]-(4-methylphenyl)azanium
CID 3341375
[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
N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 11258329
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
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
CID 163515050
N-[4-methyl-5-[2-[(4-nitrophenyl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 159448235
4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazole-2-carbonyl]amino]benzoic acid
CID 11989643
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28900969
N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 86649582

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-sulfamoylphenyl)azanium?
The IUPAC name of [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium (CID 3313510) is [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium.
What is the SMILES notation for [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium?
The canonical SMILES for [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium is CC(=O)Nc1nc(C)c(-c2csc([NH2+]c3ccc(S(N)(=O)=O)cc3)n2)s1.
What is the InChIKey of [4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium?
The InChIKey is VCGKDKBCSLTWKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N5O3S3/c1-8-13(25-15(17-8)18-9(2)21)12-7-24-14(20-12)19-10-3-5-11(6-4-10)26(16,22)23/h3-7H,1-2H3,(H,19,20)(H2,16,22,23)(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-sulfamoylphenyl)azanium?
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)azanium has a molecular weight of 410.53 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-sulfamoylphenyl)azanium is sourced from PubChem (CID 3313510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).