N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine

C10H10BrN3OS — CID 107649676

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine
SMILESCOc1ccc(CNc2cnns2)cc1Br
InChIInChI=1S/C10H10BrN3OS/c1-15-9-3-2-7(4-8(9)11)5-12-10-6-13-14-16-10/h2-4,6,12H,5H2,1H3
InChIKeyKSEOHKRMCDWCHG-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.92
Rot. Bonds4

About N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine

N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine (PubChem CID 107649676) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine
PubChem CID107649676
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine
SMILESCOc1ccc(CNc2cnns2)cc1Br
InChIInChI=1S/C10H10BrN3OS/c1-15-9-3-2-7(4-8(9)11)5-12-10-6-13-14-16-10/h2-4,6,12H,5H2,1H3
InChIKeyKSEOHKRMCDWCHG-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833
N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
CID 43229828
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
CID 993814
2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
CID 107598423
N-[(3-bromo-4-methoxyphenyl)methyl]-3-iodoaniline
CID 43229966
N-[(3-bromo-4-methoxyphenyl)methyl]-2-chloroethanamine
CID 65026221
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364033

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine (CID 107649676) is N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine is COc1ccc(CNc2cnns2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine?
The InChIKey is KSEOHKRMCDWCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-15-9-3-2-7(4-8(9)11)5-12-10-6-13-14-16-10/h2-4,6,12H,5H2,1H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine has a molecular weight of 300.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107649676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).