5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole

C16H13Cl2N5S2 — CID 30864901

IUPAC5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C
InChIInChI=1S/C16H13Cl2N5S2/c1-9-13(23-5-6-24-15(23)19-9)14-20-21-16(22(14)2)25-8-10-3-4-11(17)7-12(10)18/h3-7H,8H2,1-2H3
InChIKeyCHDLKCOVKOXVSU-UHFFFAOYSA-N
MW410.36 g/mol
LogP5.10
Rot. Bonds4

About 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole

5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 30864901) has the molecular formula C16H13Cl2N5S2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID30864901
Molecular FormulaC16H13Cl2N5S2
Molecular Weight410.36 g/mol
Exact Mass409.00
IUPAC Name5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C
InChIInChI=1S/C16H13Cl2N5S2/c1-9-13(23-5-6-24-15(23)19-9)14-20-21-16(22(14)2)25-8-10-3-4-11(17)7-12(10)18/h3-7H,8H2,1-2H3
InChIKeyCHDLKCOVKOXVSU-UHFFFAOYSA-N
XLogP5.10
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 1264926
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 19728800
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 4819025
N-[(1S)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
CID 2212899
7-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 19728977
3-[(2,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 57475369
2-[3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65299550
2-[[4-methyl-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30864850
3-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 134065498
3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1129848
7-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2639763
3-[(2,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole
CID 2482234

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole (CID 30864901) is 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C.
What is the InChIKey of 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is CHDLKCOVKOXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5S2/c1-9-13(23-5-6-24-15(23)19-9)14-20-21-16(22(14)2)25-8-10-3-4-11(17)7-12(10)18/h3-7H,8H2,1-2H3.
What are the key properties of 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 410.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 30864901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).