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

C16H14FN5O3S2 — CID 66553057

IUPAC4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H14FN5O3S2/c17-9-2-1-3-11(8-9)20-15(23)13-14(18)22-16(26-13)21-10-4-6-12(7-5-10)27(19,24)25/h1-8H,18H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyUERTXDNWFMBKLO-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.51
Rot. Bonds5

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

4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 66553057) has the molecular formula C16H14FN5O3S2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
PubChem CID66553057
Molecular FormulaC16H14FN5O3S2
Molecular Weight407.45 g/mol
Exact Mass407.05
IUPAC Name4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H14FN5O3S2/c17-9-2-1-3-11(8-9)20-15(23)13-14(18)22-16(26-13)21-10-4-6-12(7-5-10)27(19,24)25/h1-8H,18H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyUERTXDNWFMBKLO-UHFFFAOYSA-N
XLogP2.51
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide (CID 66553057) is 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is UERTXDNWFMBKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3S2/c17-9-2-1-3-11(8-9)20-15(23)13-14(18)22-16(26-13)21-10-4-6-12(7-5-10)27(19,24)25/h1-8H,18H2,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluorophenyl)-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66553057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).