N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine

C11H13N3OS — CID 107234361

IUPACN-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine
SMILESCOCc1ccc(CNc2cnns2)cc1
InChIInChI=1S/C11H13N3OS/c1-15-8-10-4-2-9(3-5-10)6-12-11-7-13-14-16-11/h2-5,7,12H,6,8H2,1H3
InChIKeyUXRMDWSCCGKVOL-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.30
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine

N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine (PubChem CID 107234361) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine
PubChem CID107234361
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine
SMILESCOCc1ccc(CNc2cnns2)cc1
InChIInChI=1S/C11H13N3OS/c1-15-8-10-4-2-9(3-5-10)6-12-11-7-13-14-16-11/h2-5,7,12H,6,8H2,1H3
InChIKeyUXRMDWSCCGKVOL-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine
CID 107649676
N-[(3-chloro-4-methylphenyl)methyl]thiadiazol-5-amine
CID 107649379
N-[(2-ethylpyrazol-3-yl)methyl]thiadiazol-5-amine
CID 107234371
6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
CID 103825772
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
N-[[4-(methoxymethyl)phenyl]methyl]-N'-(3-methyl-1,2-thiazol-5-yl)oxamide
CID 99783059
4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
CID 107571721
N-(4-methoxybutan-2-yl)thiadiazol-5-amine
CID 107649334
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine (CID 107234361) is N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine is COCc1ccc(CNc2cnns2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine?
The InChIKey is UXRMDWSCCGKVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-8-10-4-2-9(3-5-10)6-12-11-7-13-14-16-11/h2-5,7,12H,6,8H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine?
N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine has a molecular weight of 235.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine is sourced from PubChem (CID 107234361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).