N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine

C14H15N5OS — CID 131903577

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESNc1nc(CCCNc2nc(-c3ccccc3)no2)cs1
InChIInChI=1S/C14H15N5OS/c15-13-17-11(9-21-13)7-4-8-16-14-18-12(19-20-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,15,17)(H,16,18,19)
InChIKeyAJDHRTRDITVWBA-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.82
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 131903577) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID131903577
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESNc1nc(CCCNc2nc(-c3ccccc3)no2)cs1
InChIInChI=1S/C14H15N5OS/c15-13-17-11(9-21-13)7-4-8-16-14-18-12(19-20-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,15,17)(H,16,18,19)
InChIKeyAJDHRTRDITVWBA-UHFFFAOYSA-N
XLogP2.82
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 72919531
4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655602
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide
CID 131936556
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
4-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 104788856
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4-hydroxyphenyl)benzamide
CID 119071037
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
CID 4126918
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80655454
4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656603

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine (CID 131903577) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine is Nc1nc(CCCNc2nc(-c3ccccc3)no2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is AJDHRTRDITVWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c15-13-17-11(9-21-13)7-4-8-16-14-18-12(19-20-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,15,17)(H,16,18,19).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 301.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 131903577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).