5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine

C10H12ClN3OS — CID 106957281

IUPAC5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cc1ccsc1)Nc1nnc(CCl)o1
InChIInChI=1S/C10H12ClN3OS/c1-7(4-8-2-3-16-6-8)12-10-14-13-9(5-11)15-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyUXYOWRISFQSKAX-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.91
Rot. Bonds5

About 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957281) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106957281
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cc1ccsc1)Nc1nnc(CCl)o1
InChIInChI=1S/C10H12ClN3OS/c1-7(4-8-2-3-16-6-8)12-10-14-13-9(5-11)15-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyUXYOWRISFQSKAX-UHFFFAOYSA-N
XLogP2.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917493
5-(chloromethyl)-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957660
5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106956954
5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957575
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288308
N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976
N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960985
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106957281) is 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine is CC(Cc1ccsc1)Nc1nnc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UXYOWRISFQSKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-7(4-8-2-3-16-6-8)12-10-14-13-9(5-11)15-10/h2-3,6-7H,4-5H2,1H3,(H,12,14).
What are the key properties of 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 257.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).