1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C9H10ClN3OS — CID 61014211

IUPAC1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H10ClN3OS/c1-6-12-9(14-13-6)5-11-4-7-2-3-8(10)15-7/h2-3,11H,4-5H2,1H3
InChIKeyOZTBTUALLRCXKQ-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.38
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 61014211) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID61014211
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H10ClN3OS/c1-6-12-9(14-13-6)5-11-4-7-2-3-8(10)15-7/h2-3,11H,4-5H2,1H3
InChIKeyOZTBTUALLRCXKQ-UHFFFAOYSA-N
XLogP2.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903708
1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63378422
1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60977325
1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275355
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 55598709
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103254641
N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708538
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305597
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzene-1,2-diol
CID 54903566
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 61014211) is 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is Cc1noc(CNCc2ccc(Cl)s2)n1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is OZTBTUALLRCXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-6-12-9(14-13-6)5-11-4-7-2-3-8(10)15-7/h2-3,11H,4-5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 243.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 61014211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).