3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C25H24FN5O2S — CID 118430785

IUPAC3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc3ncsc3c2)c(N)c1=O
InChIInChI=1S/C25H24FN5O2S/c1-30-13-19(24(32)31-10-8-16(9-11-31)15-2-4-17(26)5-3-15)23(22(27)25(30)33)29-18-6-7-20-21(12-18)34-14-28-20/h2-7,12-14,16,29H,8-11,27H2,1H3
InChIKeySXLQERRCDMIRHU-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.48
Rot. Bonds4

About 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 118430785) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID118430785
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC Name3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc3ncsc3c2)c(N)c1=O
InChIInChI=1S/C25H24FN5O2S/c1-30-13-19(24(32)31-10-8-16(9-11-31)15-2-4-17(26)5-3-15)23(22(27)25(30)33)29-18-6-7-20-21(12-18)34-14-28-20/h2-7,12-14,16,29H,8-11,27H2,1H3
InChIKeySXLQERRCDMIRHU-UHFFFAOYSA-N
XLogP4.48
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 118430978
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-4-[(1-methylindazol-6-yl)amino]pyridin-2-one
CID 118431008
5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile
CID 118430909
3-chloro-4-(4-ethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431005
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430946
3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431051
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412730
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(3-methylanilino)pyridine-2-sulfonic acid
CID 118412574
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
4-(1,3-benzothiazol-6-ylamino)-3,5-difluorobenzoic acid
CID 107805858
3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one
CID 118430845
N-[4-[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]phenyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171685759

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 118430785) is 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc3ncsc3c2)c(N)c1=O.
What is the InChIKey of 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is SXLQERRCDMIRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-30-13-19(24(32)31-10-8-16(9-11-31)15-2-4-17(26)5-3-15)23(22(27)25(30)33)29-18-6-7-20-21(12-18)34-14-28-20/h2-7,12-14,16,29H,8-11,27H2,1H3.
What are the key properties of 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 477.57 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118430785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).