[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium

C14H14N3S2+ — CID 4179693

IUPAC[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
SMILESCc1nc(C)c(-c2csc([NH2+]c3ccccc3)n2)s1
InChIInChI=1S/C14H13N3S2/c1-9-13(19-10(2)15-9)12-8-18-14(17-12)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)/p+1
InChIKeyNWRDDAWJDQVGFS-UHFFFAOYSA-O
MW288.42 g/mol
LogP3.41
Rot. Bonds3

About [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium

[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium (PubChem CID 4179693) has the molecular formula C14H14N3S2+ and a molecular weight of 288.42 g/mol. Its IUPAC name is [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium.

Molecular Properties

Compound Name[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
PubChem CID4179693
Molecular FormulaC14H14N3S2+
Molecular Weight288.42 g/mol
Exact Mass288.06
IUPAC Name[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
SMILESCc1nc(C)c(-c2csc([NH2+]c3ccccc3)n2)s1
InChIInChI=1S/C14H13N3S2/c1-9-13(19-10(2)15-9)12-8-18-14(17-12)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)/p+1
InChIKeyNWRDDAWJDQVGFS-UHFFFAOYSA-O
XLogP3.41
TPSA42.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium?
The IUPAC name of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium (CID 4179693) is [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium.
What is the SMILES notation for [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium?
The canonical SMILES for [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium is Cc1nc(C)c(-c2csc([NH2+]c3ccccc3)n2)s1.
What is the InChIKey of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium?
The InChIKey is NWRDDAWJDQVGFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3S2/c1-9-13(19-10(2)15-9)12-8-18-14(17-12)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)/p+1.
What are the key properties of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium?
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium has a molecular weight of 288.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium is sourced from PubChem (CID 4179693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).