(2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone

C27H25F2N5O3S2 — CID 142935106

IUPAC(2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESCCc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4cccnc4)nc3)CC2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C27H25F2N5O3S2/c1-2-22-26(25(35)24-20(28)6-3-7-21(24)29)38-27(33-22)32-18-10-13-34(14-11-18)39(36,37)19-8-9-23(31-16-19)17-5-4-12-30-15-17/h3-9,12,15-16,18H,2,10-11,13-14H2,1H3,(H,32,33)
InChIKeyHFGRPGJADVRMCH-UHFFFAOYSA-N
MW569.66 g/mol
LogP4.94
Rot. Bonds8

About (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone

(2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone (PubChem CID 142935106) has the molecular formula C27H25F2N5O3S2 and a molecular weight of 569.66 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone
PubChem CID142935106
Molecular FormulaC27H25F2N5O3S2
Molecular Weight569.66 g/mol
Exact Mass569.14
IUPAC Name(2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESCCc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4cccnc4)nc3)CC2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C27H25F2N5O3S2/c1-2-22-26(25(35)24-20(28)6-3-7-21(24)29)38-27(33-22)32-18-10-13-34(14-11-18)39(36,37)19-8-9-23(31-16-19)17-5-4-12-30-15-17/h3-9,12,15-16,18H,2,10-11,13-14H2,1H3,(H,32,33)
InChIKeyHFGRPGJADVRMCH-UHFFFAOYSA-N
XLogP4.94
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[4-amino-2-[[1-[2-(3,5-dimethylpiperazin-1-yl)pyrimidin-5-yl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 87955561
[4-amino-2-[[1-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 10326370
[4-amino-2-[[1-[4-(4-methylimidazol-1-yl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 10415371
[4-amino-2-[[1-[[6-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 87955379
[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-dihydroxyphenyl)methanone
CID 86597938
[4-amino-2-[[1-[[6-[(5-methyl-5-azaspiro[2.5]octan-2-yl)oxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 142935071
[4-amino-2-[[1-[2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 87955326
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbothioic S-acid
CID 87955684
[4-amino-2-[[1-[(E,1Z)-1-(sulfanylmethylimino)but-2-en-2-yl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2-fluoro-6-phosphanylphenyl)methanone
CID 142934937
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 11951616
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46436053

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone (CID 142935106) is (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone is CCc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4cccnc4)nc3)CC2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone?
The InChIKey is HFGRPGJADVRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O3S2/c1-2-22-26(25(35)24-20(28)6-3-7-21(24)29)38-27(33-22)32-18-10-13-34(14-11-18)39(36,37)19-8-9-23(31-16-19)17-5-4-12-30-15-17/h3-9,12,15-16,18H,2,10-11,13-14H2,1H3,(H,32,33).
What are the key properties of (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone?
(2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone has a molecular weight of 569.66 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-ethyl-2-[[1-[(6-pyridin-3-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 142935106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).