[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

C8H10ClN5OS — CID 102630416

IUPAC[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCn1c(Cl)cnc1CSc1nnc(CN)o1
InChIInChI=1S/C8H10ClN5OS/c1-14-5(9)3-11-6(14)4-16-8-13-12-7(2-10)15-8/h3H,2,4,10H2,1H3
InChIKeySFPBLVYHVFKNIE-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.21
Rot. Bonds4

About [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630416) has the molecular formula C8H10ClN5OS and a molecular weight of 259.72 g/mol. Its IUPAC name is [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630416
Molecular FormulaC8H10ClN5OS
Molecular Weight259.72 g/mol
Exact Mass259.03
IUPAC Name[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCn1c(Cl)cnc1CSc1nnc(CN)o1
InChIInChI=1S/C8H10ClN5OS/c1-14-5(9)3-11-6(14)4-16-8-13-12-7(2-10)15-8/h3H,2,4,10H2,1H3
InChIKeySFPBLVYHVFKNIE-UHFFFAOYSA-N
XLogP1.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
CID 119057052
[5-[(4,6-dichloro-3-pyridinyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630102
[5-[(3-chloro-4-pyridinyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629974
[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 55203724
5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole
CID 86908683
[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630553
[5-(1,2,4-oxadiazol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630195
4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline
CID 79527791
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
CID 27024989
[5-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630335
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102630416) is [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is Cn1c(Cl)cnc1CSc1nnc(CN)o1.
What is the InChIKey of [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is SFPBLVYHVFKNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5OS/c1-14-5(9)3-11-6(14)4-16-8-13-12-7(2-10)15-8/h3H,2,4,10H2,1H3.
What are the key properties of [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 259.72 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).