N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine

C16H14ClN2OS+ — CID 692849

IUPACN-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3Cl)[nH+]2)cc1
InChIInChI=1S/C16H13ClN2OS/c1-20-12-8-6-11(7-9-12)15-10-21-16(19-15)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,19)/p+1
InChIKeyQHDGUWSPSFTZHV-UHFFFAOYSA-O
MW317.82 g/mol
LogP4.63
Rot. Bonds4

About N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine

N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine (PubChem CID 692849) has the molecular formula C16H14ClN2OS+ and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine
PubChem CID692849
Molecular FormulaC16H14ClN2OS+
Molecular Weight317.82 g/mol
Exact Mass317.05
IUPAC NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3Cl)[nH+]2)cc1
InChIInChI=1S/C16H13ClN2OS/c1-20-12-8-6-11(7-9-12)15-10-21-16(19-15)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,19)/p+1
InChIKeyQHDGUWSPSFTZHV-UHFFFAOYSA-O
XLogP4.63
TPSA35.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_D(8)', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine
CID 3582295
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
3-(2-chloroanilino)-4-methoxycyclobut-3-ene-1,2-dione
CID 87433156
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
2-(4-methoxyphenyl)quinolin-1-ium
CID 102579036
N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine (CID 692849) is N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine is COc1ccc(-c2csc(Nc3ccccc3Cl)[nH+]2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine?
The InChIKey is QHDGUWSPSFTZHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13ClN2OS/c1-20-12-8-6-11(7-9-12)15-10-21-16(19-15)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,19)/p+1.
What are the key properties of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine?
N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine has a molecular weight of 317.82 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine is sourced from PubChem (CID 692849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).