5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H15Cl2N5S2 — CID 102761208

IUPAC5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nc(Sc2nnc(N(C)C)s2)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N5S2/c1-4-5-15-9-7(13)6-8(14)10(16-9)20-12-18-17-11(21-12)19(2)3/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyNAXGVBWXOMOGRQ-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.28
Rot. Bonds6

About 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 102761208) has the molecular formula C12H15Cl2N5S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID102761208
Molecular FormulaC12H15Cl2N5S2
Molecular Weight364.33 g/mol
Exact Mass363.01
IUPAC Name5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nc(Sc2nnc(N(C)C)s2)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N5S2/c1-4-5-15-9-7(13)6-8(14)10(16-9)20-12-18-17-11(21-12)19(2)3/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyNAXGVBWXOMOGRQ-UHFFFAOYSA-N
XLogP4.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80883438
3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine
CID 102761403
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761591
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614268
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761277
5-[4-chloro-2-(propylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114864204
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102761595
5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882929
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
methyl 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]acetate
CID 102761391
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol
CID 102761554

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 102761208) is 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCNc1nc(Sc2nnc(N(C)C)s2)c(Cl)cc1Cl.
What is the InChIKey of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NAXGVBWXOMOGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5S2/c1-4-5-15-9-7(13)6-8(14)10(16-9)20-12-18-17-11(21-12)19(2)3/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 364.33 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102761208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).