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

C15H17FN2O3S2 — CID 47062848

IUPACN-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
SMILESCc1nc(NC(=O)C(C)S(C)(=O)=O)sc1Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3S2/c1-9-13(8-11-4-6-12(16)7-5-11)22-15(17-9)18-14(19)10(2)23(3,20)21/h4-7,10H,8H2,1-3H3,(H,17,18,19)
InChIKeyIEOZNQSKSVNHBF-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.55
Rot. Bonds5

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

N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide (PubChem CID 47062848) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
PubChem CID47062848
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
SMILESCc1nc(NC(=O)C(C)S(C)(=O)=O)sc1Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3S2/c1-9-13(8-11-4-6-12(16)7-5-11)22-15(17-9)18-14(19)10(2)23(3,20)21/h4-7,10H,8H2,1-3H3,(H,17,18,19)
InChIKeyIEOZNQSKSVNHBF-UHFFFAOYSA-N
XLogP2.55
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
CID 87026704
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107
2-chloro-N-[1-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55958708
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55957439
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926106

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide (CID 47062848) is N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide is Cc1nc(NC(=O)C(C)S(C)(=O)=O)sc1Cc1ccc(F)cc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
The InChIKey is IEOZNQSKSVNHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-9-13(8-11-4-6-12(16)7-5-11)22-15(17-9)18-14(19)10(2)23(3,20)21/h4-7,10H,8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide?
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide has a molecular weight of 356.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 47062848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).