[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine

C10H11N3OS — CID 107657383

IUPAC[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1nncs1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-8(5-11)4-9(7)14-10-13-12-6-15-10/h2-4,6H,5,11H2,1H3
InChIKeyRDYMXEWYPBSPCG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.10
Rot. Bonds3

About [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine

[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine (PubChem CID 107657383) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine
PubChem CID107657383
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1nncs1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-8(5-11)4-9(7)14-10-13-12-6-15-10/h2-4,6H,5,11H2,1H3
InChIKeyRDYMXEWYPBSPCG-UHFFFAOYSA-N
XLogP2.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 107657529
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine
CID 107657466
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine
CID 65208777
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
(4-methyl-3-quinoxalin-2-yloxyphenyl)methanamine
CID 107657381
4-[5-(aminomethyl)-2-methylphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 107657400
(4-methyl-3-quinolin-5-yloxyphenyl)methanamine
CID 103045285
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine?
The IUPAC name of [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine (CID 107657383) is [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine.
What is the SMILES notation for [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine?
The canonical SMILES for [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine is Cc1ccc(CN)cc1Oc1nncs1.
What is the InChIKey of [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine?
The InChIKey is RDYMXEWYPBSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-2-3-8(5-11)4-9(7)14-10-13-12-6-15-10/h2-4,6H,5,11H2,1H3.
What are the key properties of [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine?
[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine has a molecular weight of 221.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine is sourced from PubChem (CID 107657383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).