[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine

C10H10ClN3OS — CID 80624779

IUPAC[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCc1cc(Oc2nnc(CN)s2)ccc1Cl
InChIInChI=1S/C10H10ClN3OS/c1-6-4-7(2-3-8(6)11)15-10-14-13-9(5-12)16-10/h2-4H,5,12H2,1H3
InChIKeySLNUERPDPAVWFT-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.75
Rot. Bonds3

About [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine

[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80624779) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80624779
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCc1cc(Oc2nnc(CN)s2)ccc1Cl
InChIInChI=1S/C10H10ClN3OS/c1-6-4-7(2-3-8(6)11)15-10-14-13-9(5-12)16-10/h2-4H,5,12H2,1H3
InChIKeySLNUERPDPAVWFT-UHFFFAOYSA-N
XLogP2.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80623309
[5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80621135
[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 83134197
[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619196
[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80620950
N-[[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624313
[5-(4-benzylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80619261
[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618555
N-[[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 83134665
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624683
2-[5-(4-chloro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360112

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (CID 80624779) is [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is Cc1cc(Oc2nnc(CN)s2)ccc1Cl.
What is the InChIKey of [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is SLNUERPDPAVWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6-4-7(2-3-8(6)11)15-10-14-13-9(5-12)16-10/h2-4H,5,12H2,1H3.
What are the key properties of [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 255.73 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80624779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).