5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H11BrN4S2 — CID 114870905

IUPAC5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N(C)C)s2)ncc1Br
InChIInChI=1S/C10H11BrN4S2/c1-6-4-8(12-5-7(6)11)16-10-14-13-9(17-10)15(2)3/h4-5H,1-3H3
InChIKeyDCJUIEXZHIIKSG-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.22
Rot. Bonds3

About 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 114870905) has the molecular formula C10H11BrN4S2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID114870905
Molecular FormulaC10H11BrN4S2
Molecular Weight331.26 g/mol
Exact Mass329.96
IUPAC Name5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N(C)C)s2)ncc1Br
InChIInChI=1S/C10H11BrN4S2/c1-6-4-8(12-5-7(6)11)16-10-14-13-9(17-10)15(2)3/h4-5H,1-3H3
InChIKeyDCJUIEXZHIIKSG-UHFFFAOYSA-N
XLogP3.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 105368475
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 114870877
5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 114920144
[6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-pyridinyl]methanol
CID 80651531
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 63739046
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 114870822
5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80650537
5-[[4-(aminomethyl)-6-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114769899
3-bromo-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzonitrile
CID 82799677
5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 114870827
5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931266
5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106768733

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 114870905) is 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is Cc1cc(Sc2nnc(N(C)C)s2)ncc1Br.
What is the InChIKey of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DCJUIEXZHIIKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S2/c1-6-4-8(12-5-7(6)11)16-10-14-13-9(17-10)15(2)3/h4-5H,1-3H3.
What are the key properties of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 331.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114870905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).