N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C13H21N5OS2 — CID 43054798

IUPACN-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNc1nnc(SC(C)c2nc(C(C)C)no2)s1
InChIInChI=1S/C13H21N5OS2/c1-7(2)6-14-12-16-17-13(21-12)20-9(5)11-15-10(8(3)4)18-19-11/h7-9H,6H2,1-5H3,(H,14,16)
InChIKeyIGONFEWPKGBBLQ-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.97
Rot. Bonds7

About N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 43054798) has the molecular formula C13H21N5OS2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID43054798
Molecular FormulaC13H21N5OS2
Molecular Weight327.48 g/mol
Exact Mass327.12
IUPAC NameN-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNc1nnc(SC(C)c2nc(C(C)C)no2)s1
InChIInChI=1S/C13H21N5OS2/c1-7(2)6-14-12-16-17-13(21-12)20-9(5)11-15-10(8(3)4)18-19-11/h7-9H,6H2,1-5H3,(H,14,16)
InChIKeyIGONFEWPKGBBLQ-UHFFFAOYSA-N
XLogP3.97
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethylphenyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46567666
N-(2-methylpropyl)-5-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 134035826
2-[[5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 43054789
3-tert-butyl-5-[1-[[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 55578416
5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47155489
N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 36983445
N-ethyl-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42955623
2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 51280065
5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 134052428
5,6-dimethyl-2-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 56521464
N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42954108
N-(3,4-dimethylphenyl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46567667

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 43054798) is N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)CNc1nnc(SC(C)c2nc(C(C)C)no2)s1.
What is the InChIKey of N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IGONFEWPKGBBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS2/c1-7(2)6-14-12-16-17-13(21-12)20-9(5)11-15-10(8(3)4)18-19-11/h7-9H,6H2,1-5H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 327.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 43054798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).