N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide

C12H14FN3O2S2 — CID 43604346

IUPACN-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2N)cs1
InChIInChI=1S/C12H14FN3O2S2/c1-2-5-20(17,18)16-12-15-11(7-19-12)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5,14H2,1H3,(H,15,16)
InChIKeyCHBYUJBZWBSZBQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.68
Rot. Bonds5

About N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide

N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide (PubChem CID 43604346) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
PubChem CID43604346
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.39 g/mol
Exact Mass315.05
IUPAC NameN-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2N)cs1
InChIInChI=1S/C12H14FN3O2S2/c1-2-5-20(17,18)16-12-15-11(7-19-12)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5,14H2,1H3,(H,15,16)
InChIKeyCHBYUJBZWBSZBQ-UHFFFAOYSA-N
XLogP2.68
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide
CID 43603730
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
CID 3748114
N-(2-amino-4-fluorophenyl)-2-methylsulfonylethanesulfonamide
CID 63245465
4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 6737929
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338205
4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide (CID 43604346) is N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2N)cs1.
What is the InChIKey of N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide?
The InChIKey is CHBYUJBZWBSZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-2-5-20(17,18)16-12-15-11(7-19-12)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5,14H2,1H3,(H,15,16).
What are the key properties of N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide?
N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 43604346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).