5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

C16H17N5OS2 — CID 8603179

IUPAC5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C16H17N5OS2/c1-4-9-17-15-20-21-16(24-15)23-11(3)13-18-19-14(22-13)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3,(H,17,20)/t11-/m0/s1
InChIKeyQSRFHSWDUVEEGC-NSHDSACASA-N
MW359.48 g/mol
LogP4.35
Rot. Bonds7

About 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (PubChem CID 8603179) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
PubChem CID8603179
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C16H17N5OS2/c1-4-9-17-15-20-21-16(24-15)23-11(3)13-18-19-14(22-13)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3,(H,17,20)/t11-/m0/s1
InChIKeyQSRFHSWDUVEEGC-NSHDSACASA-N
XLogP4.35
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 51289574
N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 8939690
N-(2,3-dimethylphenyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46824325
(2R)-1-(4-methylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7797648
2-(4-methylphenyl)-5-[1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 78812077
(2S)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797762
5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 9199584
5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 83380562
2-[1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807800
(2S)-N-(2-methoxy-5-methylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8573764
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7797123
N-(3-methyl-1,2-oxazol-5-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51321751

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (CID 8603179) is 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)s1.
What is the InChIKey of 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QSRFHSWDUVEEGC-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-4-9-17-15-20-21-16(24-15)23-11(3)13-18-19-14(22-13)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine has a molecular weight of 359.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8603179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).