2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide

C14H15FN2O4S2 — CID 99130242

IUPAC2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide
SMILESCOC[C@@H](C)S(=O)(=O)NC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O4S2/c1-9(7-21-2)23(19,20)17-13(18)12-8-22-14(16-12)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeySWBHFBYJSPUXNY-SECBINFHSA-N
MW358.42 g/mol
LogP2.04
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 99130242) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide
PubChem CID99130242
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Name2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide
SMILESCOC[C@@H](C)S(=O)(=O)NC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O4S2/c1-9(7-21-2)23(19,20)17-13(18)12-8-22-14(16-12)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeySWBHFBYJSPUXNY-SECBINFHSA-N
XLogP2.04
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695081
N-methylsulfonyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 146154242
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 99812786
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824527
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135820
methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78861276
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide (CID 99130242) is 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide is COC[C@@H](C)S(=O)(=O)NC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is SWBHFBYJSPUXNY-SECBINFHSA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c1-9(7-21-2)23(19,20)17-13(18)12-8-22-14(16-12)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99130242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).