1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine

C10H19N3S2 — CID 64650066

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
SMILESCCCNC(CC)CSc1nnc(C)s1
InChIInChI=1S/C10H19N3S2/c1-4-6-11-9(5-2)7-14-10-13-12-8(3)15-10/h9,11H,4-7H2,1-3H3
InChIKeyUJPOOQUZGNNOCO-UHFFFAOYSA-N
MW245.42 g/mol
LogP2.72
Rot. Bonds7

About 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine (PubChem CID 64650066) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
PubChem CID64650066
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
SMILESCCCNC(CC)CSc1nnc(C)s1
InChIInChI=1S/C10H19N3S2/c1-4-6-11-9(5-2)7-14-10-13-12-8(3)15-10/h9,11H,4-7H2,1-3H3
InChIKeyUJPOOQUZGNNOCO-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine
CID 64650429
N-[1-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 113449496
N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64648403
N-[1-(3,4-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 64649265
2-[2-(bromomethyl)butylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 65000393
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650644
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650265
N,N-dimethyl-5-[4-(propylamino)hexylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 106808121
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635
3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384115
N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
CID 64650069
1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-2-amine
CID 65208119

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine (CID 64650066) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine is CCCNC(CC)CSc1nnc(C)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine?
The InChIKey is UJPOOQUZGNNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-4-6-11-9(5-2)7-14-10-13-12-8(3)15-10/h9,11H,4-7H2,1-3H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine has a molecular weight of 245.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine is sourced from PubChem (CID 64650066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).