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

C10H11BrN4S2 — CID 105368475

IUPAC5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(Sc2nnc(N(C)C)s2)c(Br)c1
InChIInChI=1S/C10H11BrN4S2/c1-6-4-7(11)8(12-5-6)16-10-14-13-9(17-10)15(2)3/h4-5H,1-3H3
InChIKeyADTPZIGBOAWJSY-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.22
Rot. Bonds3

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

5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 105368475) has the molecular formula C10H11BrN4S2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID105368475
Molecular FormulaC10H11BrN4S2
Molecular Weight331.26 g/mol
Exact Mass329.96
IUPAC Name5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(Sc2nnc(N(C)C)s2)c(Br)c1
InChIInChI=1S/C10H11BrN4S2/c1-6-4-7(11)8(12-5-6)16-10-14-13-9(17-10)15(2)3/h4-5H,1-3H3
InChIKeyADTPZIGBOAWJSY-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

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Related Compounds

5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114870905
5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80650537
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
CID 81440111
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile
CID 63739230
2-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 105366570
5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882929
3-bromo-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzonitrile
CID 82799677
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol
CID 105367489
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931194
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 102761208

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 105368475) is 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is Cc1cnc(Sc2nnc(N(C)C)s2)c(Br)c1.
What is the InChIKey of 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ADTPZIGBOAWJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S2/c1-6-4-7(11)8(12-5-6)16-10-14-13-9(17-10)15(2)3/h4-5H,1-3H3.
What are the key properties of 5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(3-bromo-5-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-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 105368475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).