N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine

C10H12N4S3 — CID 115383909

IUPACN-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(Sc2nnc(SC)s2)nc1
InChIInChI=1S/C10H12N4S3/c1-11-5-7-3-4-8(12-6-7)16-10-14-13-9(15-2)17-10/h3-4,6,11H,5H2,1-2H3
InChIKeyFLDLNTBOOZYOPY-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.53
Rot. Bonds5

About N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine

N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine (PubChem CID 115383909) has the molecular formula C10H12N4S3 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
PubChem CID115383909
Molecular FormulaC10H12N4S3
Molecular Weight284.44 g/mol
Exact Mass284.02
IUPAC NameN-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(Sc2nnc(SC)s2)nc1
InChIInChI=1S/C10H12N4S3/c1-11-5-7-3-4-8(12-6-7)16-10-14-13-9(15-2)17-10/h3-4,6,11H,5H2,1-2H3
InChIKeyFLDLNTBOOZYOPY-UHFFFAOYSA-N
XLogP2.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine
CID 80640038
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 113298644
1-[2-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114065001
N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
CID 104604312
[6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-pyridinyl]methanol
CID 80651531
1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114066362
N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
CID 80650906
1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
CID 162422933

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine (CID 115383909) is N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine is CNCc1ccc(Sc2nnc(SC)s2)nc1.
What is the InChIKey of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
The InChIKey is FLDLNTBOOZYOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S3/c1-11-5-7-3-4-8(12-6-7)16-10-14-13-9(15-2)17-10/h3-4,6,11H,5H2,1-2H3.
What are the key properties of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine?
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine has a molecular weight of 284.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 115383909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).