3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine

C13H17N3S — CID 133345383

IUPAC3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(c2ccccc2)C(C)C)n1
InChIInChI=1S/C13H17N3S/c1-9(2)12(11-7-5-4-6-8-11)15-13-14-10(3)16-17-13/h4-9,12H,1-3H3,(H,14,15,16)
InChIKeyRRPQLMMOGNUTMT-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.66
Rot. Bonds4

About 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133345383) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133345383
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(c2ccccc2)C(C)C)n1
InChIInChI=1S/C13H17N3S/c1-9(2)12(11-7-5-4-6-8-11)15-13-14-10(3)16-17-13/h4-9,12H,1-3H3,(H,14,15,16)
InChIKeyRRPQLMMOGNUTMT-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133358780
3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 133429787
3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819
N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
CID 65268088
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133429222
(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid
CID 104874332
3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65273090
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273116
3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
CID 103894668
2-methyl-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 79042084
methyl 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65268355

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine (CID 133345383) is 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(c2ccccc2)C(C)C)n1.
What is the InChIKey of 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RRPQLMMOGNUTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)12(11-7-5-4-6-8-11)15-13-14-10(3)16-17-13/h4-9,12H,1-3H3,(H,14,15,16).
What are the key properties of 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 247.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133345383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).