N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine

C9H17N3S2 — CID 64648403

IUPACN-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
SMILESCCCNC(CC)CSc1nncs1
InChIInChI=1S/C9H17N3S2/c1-3-5-10-8(4-2)6-13-9-12-11-7-14-9/h7-8,10H,3-6H2,1-2H3
InChIKeyKPHLUMVEIHZIBZ-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.41
Rot. Bonds7

About N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine

N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine (PubChem CID 64648403) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
PubChem CID64648403
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC NameN-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
SMILESCCCNC(CC)CSc1nncs1
InChIInChI=1S/C9H17N3S2/c1-3-5-10-8(4-2)6-13-9-12-11-7-14-9/h7-8,10H,3-6H2,1-2H3
InChIKeyKPHLUMVEIHZIBZ-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64649776
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 64650066
2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile
CID 63055136
1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
CID 107511336
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
CID 66224085
N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62188064
N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64649193
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine
CID 114056820
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-2-amine
CID 64619312
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55127461

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
The IUPAC name of N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine (CID 64648403) is N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
The canonical SMILES for N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine is CCCNC(CC)CSc1nncs1.
What is the InChIKey of N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
The InChIKey is KPHLUMVEIHZIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-3-5-10-8(4-2)6-13-9-12-11-7-14-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine has a molecular weight of 231.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64648403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).