1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine

C13H18N4S2 — CID 80650887

IUPAC1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Sc2nnc(C)s2)c(C)c1
InChIInChI=1S/C13H18N4S2/c1-4-11(14)6-10-5-8(2)12(15-7-10)19-13-17-16-9(3)18-13/h5,7,11H,4,6,14H2,1-3H3
InChIKeyVHTUMFNDGLZWJP-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.98
Rot. Bonds5

About 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine

1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine (PubChem CID 80650887) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine
PubChem CID80650887
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Sc2nnc(C)s2)c(C)c1
InChIInChI=1S/C13H18N4S2/c1-4-11(14)6-10-5-8(2)12(15-7-10)19-13-17-16-9(3)18-13/h5,7,11H,4,6,14H2,1-3H3
InChIKeyVHTUMFNDGLZWJP-UHFFFAOYSA-N
XLogP2.98
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine with MolForge

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Related Compounds

1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine
CID 107783616
1-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]butan-2-amine
CID 81159584
1-[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]butan-2-amine
CID 80644336
1-[5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]propan-2-amine
CID 80650535
5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80650537
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 80639950
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-3-pyridinyl]methanamine
CID 80650767
5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80638929
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 63820349
1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine
CID 170890843
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine (CID 80650887) is 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnc(Sc2nnc(C)s2)c(C)c1.
What is the InChIKey of 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine?
The InChIKey is VHTUMFNDGLZWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-4-11(14)6-10-5-8(2)12(15-7-10)19-13-17-16-9(3)18-13/h5,7,11H,4,6,14H2,1-3H3.
What are the key properties of 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine?
1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine has a molecular weight of 294.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80650887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).