[4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone

C19H23FN4OS — CID 163786818

IUPAC[4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone
SMILESC=Cc1cccc(F)c1C(=O)c1sc(NC2CCN(CC)CC2)nc1N
InChIInChI=1S/C19H23FN4OS/c1-3-12-6-5-7-14(20)15(12)16(25)17-18(21)23-19(26-17)22-13-8-10-24(4-2)11-9-13/h3,5-7,13H,1,4,8-11,21H2,2H3,(H,22,23)
InChIKeyMTGQSKLKYKOHGX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.63
Rot. Bonds6

About [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone

[4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone (PubChem CID 163786818) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone
PubChem CID163786818
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name[4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone
SMILESC=Cc1cccc(F)c1C(=O)c1sc(NC2CCN(CC)CC2)nc1N
InChIInChI=1S/C19H23FN4OS/c1-3-12-6-5-7-14(20)15(12)16(25)17-18(21)23-19(26-17)22-13-8-10-24(4-2)11-9-13/h3,5-7,13H,1,4,8-11,21H2,2H3,(H,22,23)
InChIKeyMTGQSKLKYKOHGX-UHFFFAOYSA-N
XLogP3.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbothioic S-acid
CID 87955684
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-methylpiperidine-1-carboxamide;[4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methylimino(oxo)methane
CID 159910065
4-amino-N-[2-[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 87064046
N-[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 122480002
[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
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 11951616
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;3-aminosulfanyl-2,2-dimethylpropan-1-ol
CID 145140423
[4-amino-2-[[1-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]sulfanylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2-fluoro-6-phosphanylphenyl)methanone
CID 142935017
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;(3-aminosulfanyl-2-methylpropyl) acetate
CID 145140463
[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
tert-butyl 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 11951440
[4-amino-2-[[1-[[6-[2-(cyclopropylamino)ethoxy]-3-pyridinyl]sulfanyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2-fluoro-6-methylphenyl)methanone
CID 142935128

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone (CID 163786818) is [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone is C=Cc1cccc(F)c1C(=O)c1sc(NC2CCN(CC)CC2)nc1N.
What is the InChIKey of [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone?
The InChIKey is MTGQSKLKYKOHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c1-3-12-6-5-7-14(20)15(12)16(25)17-18(21)23-19(26-17)22-13-8-10-24(4-2)11-9-13/h3,5-7,13H,1,4,8-11,21H2,2H3,(H,22,23).
What are the key properties of [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone?
[4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone has a molecular weight of 374.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone is sourced from PubChem (CID 163786818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).