6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C19H12Cl2N6S2 — CID 5026518

IUPAC6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-n2c(SCc3cn4ccsc4n3)nnc2-c2ccncc2)cc1Cl
InChIInChI=1S/C19H12Cl2N6S2/c20-15-2-1-14(9-16(15)21)27-17(12-3-5-22-6-4-12)24-25-19(27)29-11-13-10-26-7-8-28-18(26)23-13/h1-10H,11H2
InChIKeyQIVJHIDRTRERMV-UHFFFAOYSA-N
MW459.39 g/mol
LogP5.64
Rot. Bonds5

About 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 5026518) has the molecular formula C19H12Cl2N6S2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID5026518
Molecular FormulaC19H12Cl2N6S2
Molecular Weight459.39 g/mol
Exact Mass457.99
IUPAC Name6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-n2c(SCc3cn4ccsc4n3)nnc2-c2ccncc2)cc1Cl
InChIInChI=1S/C19H12Cl2N6S2/c20-15-2-1-14(9-16(15)21)27-17(12-3-5-22-6-4-12)24-25-19(27)29-11-13-10-26-7-8-28-18(26)23-13/h1-10H,11H2
InChIKeyQIVJHIDRTRERMV-UHFFFAOYSA-N
XLogP5.64
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole 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

7-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71905201
4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 126111937
7-chloro-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46610849
2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 2365211
4-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
CID 112775523
2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2360296
4-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 31723229
4-[4-(4-chlorophenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 126109039
4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332050
5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332020
4-[5-[(2-chlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 2943072
4-[5-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 42985157

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 5026518) is 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(-n2c(SCc3cn4ccsc4n3)nnc2-c2ccncc2)cc1Cl.
What is the InChIKey of 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is QIVJHIDRTRERMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6S2/c20-15-2-1-14(9-16(15)21)27-17(12-3-5-22-6-4-12)24-25-19(27)29-11-13-10-26-7-8-28-18(26)23-13/h1-10H,11H2.
What are the key properties of 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 459.39 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 5026518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).