5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine

C10H10BrN3OS — CID 64622633

IUPAC5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(Br)s2)c1
InChIInChI=1S/C10H10BrN3OS/c1-15-8-4-2-3-7(5-8)6-12-10-14-13-9(11)16-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyDDKMXPCNTISVOU-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.92
Rot. Bonds4

About 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64622633) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64622633
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(Br)s2)c1
InChIInChI=1S/C10H10BrN3OS/c1-15-8-4-2-3-7(5-8)6-12-10-14-13-9(11)16-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyDDKMXPCNTISVOU-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

Analyze 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methoxyphenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 175901797
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
N-[(3-methoxyphenyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616034
5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624499
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
2-[(3-methoxyphenyl)methylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18166926
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
5-benzyl-N-[(3-methoxy-5-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133451564
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64622633) is 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is COc1cccc(CNc2nnc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DDKMXPCNTISVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-15-8-4-2-3-7(5-8)6-12-10-14-13-9(11)16-10/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-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 5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).