2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

C6H11N3S2 — CID 43530641

IUPAC2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCC(CN)CSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-5(2-7)3-10-6-9-8-4-11-6/h4-5H,2-3,7H2,1H3
InChIKeyBEBYNQJFCFCSBA-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.23
Rot. Bonds4

About 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 43530641) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
PubChem CID43530641
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Name2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCC(CN)CSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-5(2-7)3-10-6-9-8-4-11-6/h4-5H,2-3,7H2,1H3
InChIKeyBEBYNQJFCFCSBA-UHFFFAOYSA-N
XLogP1.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine
CID 103371652
3,3,3-Trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine
CID 103371702
2-(2-Methylpropylsulfanyl)-1,3,4-thiadiazole
CID 21163831
2-(1,3,4-Thiadiazol-2-ylthio)ethanamine
CID 28374320
1-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64650551
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 28374322
3-(1,3,4-Thiadiazol-2-ylsulfanyl)pentan-1-amine
CID 43530640
4-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 43530647
3-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 60915394
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 61386341
N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386358
N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (CID 43530641) is 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is CC(CN)CSc1nncs1.
What is the InChIKey of 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is BEBYNQJFCFCSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-5(2-7)3-10-6-9-8-4-11-6/h4-5H,2-3,7H2,1H3.
What are the key properties of 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 189.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 43530641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).