2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole

C17H13FN3O3S2- — CID 175018570

IUPAC2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole
SMILESCc1csc(NC(=O)c2ccccc2N(c2ccc(F)cc2)S(=O)[O-])n1
InChIInChI=1S/C17H14FN3O3S2/c1-11-10-25-17(19-11)20-16(22)14-4-2-3-5-15(14)21(26(23)24)13-8-6-12(18)7-9-13/h2-10H,1H3,(H,23,24)(H,19,20,22)/p-1
InChIKeyJGDMSUUUEDPEMQ-UHFFFAOYSA-M
MW390.44 g/mol
LogP3.78
Rot. Bonds5

About 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole

2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole (PubChem CID 175018570) has the molecular formula C17H13FN3O3S2- and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole
PubChem CID175018570
Molecular FormulaC17H13FN3O3S2-
Molecular Weight390.44 g/mol
Exact Mass390.04
IUPAC Name2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole
SMILESCc1csc(NC(=O)c2ccccc2N(c2ccc(F)cc2)S(=O)[O-])n1
InChIInChI=1S/C17H14FN3O3S2/c1-11-10-25-17(19-11)20-16(22)14-4-2-3-5-15(14)21(26(23)24)13-8-6-12(18)7-9-13/h2-10H,1H3,(H,23,24)(H,19,20,22)/p-1
InChIKeyJGDMSUUUEDPEMQ-UHFFFAOYSA-M
XLogP3.78
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
4-phenyl-2-[[2-[N-sulfinato-3-(trifluoromethyl)anilino]benzoyl]amino]-1,3-thiazole;hydrobromide
CID 175016700
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
4-(4-methoxyphenyl)-2-[[2-(4-methyl-N-sulfinoanilino)benzoyl]amino]-1,3-thiazole
CID 175020993
2-[[2-(4-methyl-N-sulfinoanilino)benzoyl]amino]-4-pyridin-3-yl-1,3-thiazole
CID 175020667
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
4-(4-fluorophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820774
6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 17028163
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 121006074

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole (CID 175018570) is 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole is Cc1csc(NC(=O)c2ccccc2N(c2ccc(F)cc2)S(=O)[O-])n1.
What is the InChIKey of 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole?
The InChIKey is JGDMSUUUEDPEMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14FN3O3S2/c1-11-10-25-17(19-11)20-16(22)14-4-2-3-5-15(14)21(26(23)24)13-8-6-12(18)7-9-13/h2-10H,1H3,(H,23,24)(H,19,20,22)/p-1.
What are the key properties of 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole?
2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole has a molecular weight of 390.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoro-N-sulfinatoanilino)benzoyl]amino]-4-methyl-1,3-thiazole is sourced from PubChem (CID 175018570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).