1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine

C9H9BrClN3S2 — CID 80609531

IUPAC1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1csc(Br)c1)Cc1nnc(Cl)s1
InChIInChI=1S/C9H9BrClN3S2/c1-14(3-6-2-7(10)15-5-6)4-8-12-13-9(11)16-8/h2,5H,3-4H2,1H3
InChIKeyUCIMMGMJSYPVQG-UHFFFAOYSA-N
MW338.68 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine

1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine (PubChem CID 80609531) has the molecular formula C9H9BrClN3S2 and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
PubChem CID80609531
Molecular FormulaC9H9BrClN3S2
Molecular Weight338.68 g/mol
Exact Mass336.91
IUPAC Name1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1csc(Br)c1)Cc1nnc(Cl)s1
InChIInChI=1S/C9H9BrClN3S2/c1-14(3-6-2-7(10)15-5-6)4-8-12-13-9(11)16-8/h2,5H,3-4H2,1H3
InChIKeyUCIMMGMJSYPVQG-UHFFFAOYSA-N
XLogP3.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine 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

5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606208
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
CID 80610850
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 62464675
1-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chloropropan-2-ol
CID 112561425
1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62461546
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 54987200
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552
N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80609197
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910054

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine (CID 80609531) is 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine is CN(Cc1csc(Br)c1)Cc1nnc(Cl)s1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
The InChIKey is UCIMMGMJSYPVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3S2/c1-14(3-6-2-7(10)15-5-6)4-8-12-13-9(11)16-8/h2,5H,3-4H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine has a molecular weight of 338.68 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 80609531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).