2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole

C16H13FN2O2S2 — CID 175564732

IUPAC2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole
SMILESCc1ccc(N(c2cnc(-c3ccc(F)cc3)s2)S(=O)O)cc1
InChIInChI=1S/C16H13FN2O2S2/c1-11-2-8-14(9-3-11)19(23(20)21)15-10-18-16(22-15)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,20,21)
InChIKeyFHNQGHFGYMIWAB-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole

2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole (PubChem CID 175564732) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole
PubChem CID175564732
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC Name2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole
SMILESCc1ccc(N(c2cnc(-c3ccc(F)cc3)s2)S(=O)O)cc1
InChIInChI=1S/C16H13FN2O2S2/c1-11-2-8-14(9-3-11)19(23(20)21)15-10-18-16(22-15)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,20,21)
InChIKeyFHNQGHFGYMIWAB-UHFFFAOYSA-N
XLogP4.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole 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

6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-sulfinoamino]naphthalene-2-carboxylic acid
CID 175564375
4-[4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-sulfinoamino]-3-methoxyphenyl]benzoic acid
CID 175564373
4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-sulfinoamino]benzoic acid
CID 175564461
2-(4-fluorophenyl)-4-(4-methyl-N-sulfinoanilino)thiophene
CID 91217146
2-carboxy-5-(4-fluorophenyl)-3-(4-methyl-N-sulfinatoanilino)thiophene
CID 67299149
5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 177128149
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
5-(4-fluorophenyl)-3-(3-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67415776
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
5-chloro-2-(4-fluorophenyl)-1,3-thiazole
CID 117259108
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 123316346
2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167475514

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole (CID 175564732) is 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole is Cc1ccc(N(c2cnc(-c3ccc(F)cc3)s2)S(=O)O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole?
The InChIKey is FHNQGHFGYMIWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c1-11-2-8-14(9-3-11)19(23(20)21)15-10-18-16(22-15)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole?
2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole has a molecular weight of 348.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-methyl-N-sulfinoanilino)-1,3-thiazole is sourced from PubChem (CID 175564732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).