3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine

C9H8Cl2N4S3 — CID 102761591

IUPAC3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
SMILESCNc1nc(Sc2nnc(SC)s2)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N4S3/c1-12-6-4(10)3-5(11)7(13-6)17-9-15-14-8(16-2)18-9/h3H,1-2H3,(H,12,13)
InChIKeyBPPSTNMXMOFDCL-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.15
Rot. Bonds4

About 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine

3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine (PubChem CID 102761591) has the molecular formula C9H8Cl2N4S3 and a molecular weight of 339.30 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
PubChem CID102761591
Molecular FormulaC9H8Cl2N4S3
Molecular Weight339.30 g/mol
Exact Mass337.93
IUPAC Name3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
SMILESCNc1nc(Sc2nnc(SC)s2)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N4S3/c1-12-6-4(10)3-5(11)7(13-6)17-9-15-14-8(16-2)18-9/h3H,1-2H3,(H,12,13)
InChIKeyBPPSTNMXMOFDCL-UHFFFAOYSA-N
XLogP4.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine with MolForge

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Related Compounds

2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 20821229
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 102761208
3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 102761241
3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
CID 102926978
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
1-[2-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114065001
6-ethyl-N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335325
3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765930
3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
CID 102761369
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115280336
N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775288

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine (CID 102761591) is 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine is CNc1nc(Sc2nnc(SC)s2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine?
The InChIKey is BPPSTNMXMOFDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4S3/c1-12-6-4(10)3-5(11)7(13-6)17-9-15-14-8(16-2)18-9/h3H,1-2H3,(H,12,13).
What are the key properties of 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine?
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 102761591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).