4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide

C16H13F2N5O3S2 — CID 66553058

IUPAC4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyFQEUBNKUJIJESK-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.65
Rot. Bonds5

About 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide

4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 66553058) has the molecular formula C16H13F2N5O3S2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
PubChem CID66553058
Molecular FormulaC16H13F2N5O3S2
Molecular Weight425.44 g/mol
Exact Mass425.04
IUPAC Name4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyFQEUBNKUJIJESK-UHFFFAOYSA-N
XLogP2.65
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide (CID 66553058) is 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is FQEUBNKUJIJESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-difluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66553058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).