N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C15H21N3S — CID 65274259

IUPACN-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCC(C)c2ccccc2)n1
InChIInChI=1S/C15H21N3S/c1-11(2)14-17-15(19-18-14)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,17,18)
InChIKeyZIVXMHWCODUOSS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.27
Rot. Bonds6

About N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65274259) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65274259
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCC(C)c2ccccc2)n1
InChIInChI=1S/C15H21N3S/c1-11(2)14-17-15(19-18-14)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,17,18)
InChIKeyZIVXMHWCODUOSS-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270963
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
4-methyl-6-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 65270163
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335354
3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274344
N-[(3-methylphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271290
3-bromo-2-methyl-N-(3-phenylbutyl)aniline
CID 107630204

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65274259) is N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCCC(C)c2ccccc2)n1.
What is the InChIKey of N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZIVXMHWCODUOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(2)14-17-15(19-18-14)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 275.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).