N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C23H26Cl2FN5O3S — CID 87078321

IUPACN-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3CN(C=O)CC[C@@H]3NC(=O)/C(F)=C/c3ccc(Cl)cc3)sc2C1.Cl
InChIInChI=1S/C23H25ClFN5O3S.ClH/c1-29-8-6-18-20(12-29)34-23(28-18)22(33)27-19-11-30(13-31)9-7-17(19)26-21(32)16(25)10-14-2-4-15(24)5-3-14;/h2-5,10,13,17,19H,6-9,11-12H2,1H3,(H,26,32)(H,27,33);1H/b16-10-;/t17-,19+;/m0./s1
InChIKeyUNAIRHOFLBZHHL-IVMFDKJRSA-N
MW542.46 g/mol
LogP2.66
Rot. Bonds6

About N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 87078321) has the molecular formula C23H26Cl2FN5O3S and a molecular weight of 542.46 g/mol. Its IUPAC name is N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
PubChem CID87078321
Molecular FormulaC23H26Cl2FN5O3S
Molecular Weight542.46 g/mol
Exact Mass541.11
IUPAC NameN-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3CN(C=O)CC[C@@H]3NC(=O)/C(F)=C/c3ccc(Cl)cc3)sc2C1.Cl
InChIInChI=1S/C23H25ClFN5O3S.ClH/c1-29-8-6-18-20(12-29)34-23(28-18)22(33)27-19-11-30(13-31)9-7-17(19)26-21(32)16(25)10-14-2-4-15(24)5-3-14;/h2-5,10,13,17,19H,6-9,11-12H2,1H3,(H,26,32)(H,27,33);1H/b16-10-;/t17-,19+;/m0./s1
InChIKeyUNAIRHOFLBZHHL-IVMFDKJRSA-N
XLogP2.66
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride 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

N-[(1R,2S,5S)-2-[[3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66967275
N-[(1R,2S,5S)-2-[[3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66967045
N'-(4-chlorophenyl)-N-[(1R,2R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cycloheptyl]oxamide
CID 67056458
N-[(1R,2S,5S)-2-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 68591861
N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 143305515
N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-prop-2-enylpiperidin-4-yl]oxamide
CID 11964555
N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 97352650
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907725
N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 67056636
N'-(4-chlorophenyl)-N-[(1S,2R)-2-[(5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbonyl)amino]cyclohexyl]oxamide
CID 67056421
N-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59284703
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 87078321) is N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@@H]3CN(C=O)CC[C@@H]3NC(=O)/C(F)=C/c3ccc(Cl)cc3)sc2C1.Cl.
What is the InChIKey of N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The InChIKey is UNAIRHOFLBZHHL-IVMFDKJRSA-N. The full InChI is InChI=1S/C23H25ClFN5O3S.ClH/c1-29-8-6-18-20(12-29)34-23(28-18)22(33)27-19-11-30(13-31)9-7-17(19)26-21(32)16(25)10-14-2-4-15(24)5-3-14;/h2-5,10,13,17,19H,6-9,11-12H2,1H3,(H,26,32)(H,27,33);1H/b16-10-;/t17-,19+;/m0./s1.
What are the key properties of N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 542.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[[(Z)-3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-1-formylpiperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 87078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).