1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine

C14H27N3S — CID 65280541

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(C(C)(C)C)ns1
InChIInChI=1S/C14H27N3S/c1-6-8-11(15-9-7-2)10-12-16-13(17-18-12)14(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyQIFNGZIUDCEJDZ-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.55
Rot. Bonds7

About 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine (PubChem CID 65280541) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine
PubChem CID65280541
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(C(C)(C)C)ns1
InChIInChI=1S/C14H27N3S/c1-6-8-11(15-9-7-2)10-12-16-13(17-18-12)14(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyQIFNGZIUDCEJDZ-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylbutan-2-amine
CID 65279940
N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280543
1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-2-amine
CID 65208119
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine
CID 65280781
2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine
CID 65280062
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
CID 103169196
1-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652349
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
CID 65276904
1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride
CID 22007063
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
(2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride
CID 67425572
2-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentanoic acid
CID 65270382

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine (CID 65280541) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine is CCCNC(CCC)Cc1nc(C(C)(C)C)ns1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
The InChIKey is QIFNGZIUDCEJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-8-11(15-9-7-2)10-12-16-13(17-18-12)14(3,4)5/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 65280541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).