1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine

C12H23N3S — CID 105080416

IUPAC1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1snnc1C(C)C
InChIInChI=1S/C12H23N3S/c1-5-7-10(13-8-6-2)12-11(9(3)4)14-15-16-12/h9-10,13H,5-8H2,1-4H3
InChIKeyGDEWSFSDJRVUGF-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.50
Rot. Bonds7

About 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine

1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine (PubChem CID 105080416) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
PubChem CID105080416
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1snnc1C(C)C
InChIInChI=1S/C12H23N3S/c1-5-7-10(13-8-6-2)12-11(9(3)4)14-15-16-12/h9-10,13H,5-8H2,1-4H3
InChIKeyGDEWSFSDJRVUGF-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
CID 114984252
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176818
N-[1-(4-propan-2-ylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169200
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105173924
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105090721
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine (CID 105080416) is 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1snnc1C(C)C.
What is the InChIKey of 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine?
The InChIKey is GDEWSFSDJRVUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-7-10(13-8-6-2)12-11(9(3)4)14-15-16-12/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine?
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105080416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).