N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide

C16H21FN2O2S2 — CID 7518305

IUPACN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C16H21FN2O2S2/c1-11(2)10-23(20,21)18-8-7-15-12(3)19-16(22-15)13-5-4-6-14(17)9-13/h4-6,9,11,18H,7-8,10H2,1-3H3
InChIKeyNVFDZSNGPIRESX-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide

N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide (PubChem CID 7518305) has the molecular formula C16H21FN2O2S2 and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
PubChem CID7518305
Molecular FormulaC16H21FN2O2S2
Molecular Weight356.49 g/mol
Exact Mass356.10
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C16H21FN2O2S2/c1-11(2)10-23(20,21)18-8-7-15-12(3)19-16(22-15)13-5-4-6-14(17)9-13/h4-6,9,11,18H,7-8,10H2,1-3H3
InChIKeyNVFDZSNGPIRESX-UHFFFAOYSA-N
XLogP3.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7518293
5-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxybenzenesulfonamide
CID 44826619
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
CID 7503071
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 7518160
N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 20965717
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide
CID 7518265
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503085
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide (CID 7518305) is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide is Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)CC(C)C.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide?
The InChIKey is NVFDZSNGPIRESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S2/c1-11(2)10-23(20,21)18-8-7-15-12(3)19-16(22-15)13-5-4-6-14(17)9-13/h4-6,9,11,18H,7-8,10H2,1-3H3.
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide?
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 7518305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).