4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole

C23H24ClFN2O3S2 — CID 160758548

IUPAC4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole
SMILESC[C@H](c1ccccc1)N1CCC(Oc2ccc(S(=O)(=O)Cc3cscn3)c(F)c2Cl)CC1
InChIInChI=1S/C23H24ClFN2O3S2/c1-16(17-5-3-2-4-6-17)27-11-9-19(10-12-27)30-20-7-8-21(23(25)22(20)24)32(28,29)14-18-13-31-15-26-18/h2-8,13,15-16,19H,9-12,14H2,1H3/t16-/m1/s1
InChIKeyVDRAFDPZOKOHJI-MRXNPFEDSA-N
MW495.04 g/mol
LogP5.51
Rot. Bonds7

About 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole

4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole (PubChem CID 160758548) has the molecular formula C23H24ClFN2O3S2 and a molecular weight of 495.04 g/mol. Its IUPAC name is 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole
PubChem CID160758548
Molecular FormulaC23H24ClFN2O3S2
Molecular Weight495.04 g/mol
Exact Mass494.09
IUPAC Name4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole
SMILESC[C@H](c1ccccc1)N1CCC(Oc2ccc(S(=O)(=O)Cc3cscn3)c(F)c2Cl)CC1
InChIInChI=1S/C23H24ClFN2O3S2/c1-16(17-5-3-2-4-6-17)27-11-9-19(10-12-27)30-20-7-8-21(23(25)22(20)24)32(28,29)14-18-13-31-15-26-18/h2-8,13,15-16,19H,9-12,14H2,1H3/t16-/m1/s1
InChIKeyVDRAFDPZOKOHJI-MRXNPFEDSA-N
XLogP5.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.04
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole with MolForge

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Related Compounds

3-[[3-chloro-4-[1-[(1S)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,2,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 158655046
2-[[5-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 158663909
2-[3-bromo-2,6-difluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonyl-1,3-thiazole
CID 175097552
(3S)-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-amine
CID 95598751
5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
CID 139028947
5-chloro-2-fluoro-4-[methyl-[(3S)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 172777967
(3S)-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 159582349
5-[(6-fluoro-2-pyridinyl)methylsulfonyl]-N,3-dimethyl-N-[1-[(1R)-1-phenylethyl]piperidin-4-yl]pyridin-2-amine
CID 159562252
5-chloro-2-fluoro-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175106146
3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 113487066
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169847

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole (CID 160758548) is 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole is C[C@H](c1ccccc1)N1CCC(Oc2ccc(S(=O)(=O)Cc3cscn3)c(F)c2Cl)CC1.
What is the InChIKey of 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is VDRAFDPZOKOHJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24ClFN2O3S2/c1-16(17-5-3-2-4-6-17)27-11-9-19(10-12-27)30-20-7-8-21(23(25)22(20)24)32(28,29)14-18-13-31-15-26-18/h2-8,13,15-16,19H,9-12,14H2,1H3/t16-/m1/s1.
What are the key properties of 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole?
4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 495.04 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 160758548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).