N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane

C29H35ClFN5S2 — CID 144700798

IUPACN-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane
SMILESCC.CCc1nc2ccc(C3=CCN(SCCCCl)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H29ClFN5S2.C2H6/c1-3-23-26(32(2)27-31-24(18-35-27)20-5-8-22(29)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)36-16-4-13-28;1-2/h5-11,17-18H,3-4,12-16H2,1-2H3;1-2H3
InChIKeyVLCZNTHTSGKNHV-UHFFFAOYSA-N
MW572.22 g/mol
LogP8.32
Rot. Bonds9

About N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane

N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane (PubChem CID 144700798) has the molecular formula C29H35ClFN5S2 and a molecular weight of 572.22 g/mol. Its IUPAC name is N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound NameN-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane
PubChem CID144700798
Molecular FormulaC29H35ClFN5S2
Molecular Weight572.22 g/mol
Exact Mass571.20
IUPAC NameN-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane
SMILESCC.CCc1nc2ccc(C3=CCN(SCCCCl)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H29ClFN5S2.C2H6/c1-3-23-26(32(2)27-31-24(18-35-27)20-5-8-22(29)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)36-16-4-13-28;1-2/h5-11,17-18H,3-4,12-16H2,1-2H3;1-2H3
InChIKeyVLCZNTHTSGKNHV-UHFFFAOYSA-N
XLogP8.32
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.22
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane 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

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90446642
S-21007
CID 9863146
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093443

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane?
The IUPAC name of N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane (CID 144700798) is N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane?
The canonical SMILES for N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane is CC.CCc1nc2ccc(C3=CCN(SCCCCl)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane?
The InChIKey is VLCZNTHTSGKNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN5S2.C2H6/c1-3-23-26(32(2)27-31-24(18-35-27)20-5-8-22(29)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)36-16-4-13-28;1-2/h5-11,17-18H,3-4,12-16H2,1-2H3;1-2H3.
What are the key properties of N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane?
N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane has a molecular weight of 572.22 g/mol, XLogP of 8.32, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(3-chloropropylsulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 144700798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).