N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C13H25N3S — CID 106026374

IUPACN-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCCC(CCC)Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H25N3S/c1-5-7-9-11(8-6-2)14-13-15-12(10(3)4)16-17-13/h10-11H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyCZNOLDZGQUPUIZ-UHFFFAOYSA-N
MW255.43 g/mol
LogP4.43
Rot. Bonds8

About N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 106026374) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID106026374
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCCC(CCC)Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H25N3S/c1-5-7-9-11(8-6-2)14-13-15-12(10(3)4)16-17-13/h10-11H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyCZNOLDZGQUPUIZ-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277218
4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 65276980
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115681108
5-methyl-N-octan-4-yl-1,3,4-thiadiazol-2-amine
CID 103729148
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79246881
N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115715135
N-(4-methylsulfonylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133386781
3-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854620
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
CID 80704893
N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273255

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 106026374) is N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCCCC(CCC)Nc1nc(C(C)C)ns1.
What is the InChIKey of N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is CZNOLDZGQUPUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-7-9-11(8-6-2)14-13-15-12(10(3)4)16-17-13/h10-11H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 255.43 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106026374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).