N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

C12H11Br2N3S — CID 107942008

IUPACN-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2nnc(CNC3CC3)s2)c(Br)c1
InChIInChI=1S/C12H11Br2N3S/c13-7-1-4-9(10(14)5-7)12-17-16-11(18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2
InChIKeyFPJWBHOCPBUKDF-UHFFFAOYSA-N
MW389.12 g/mol
LogP3.98
Rot. Bonds4

About N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 107942008) has the molecular formula C12H11Br2N3S and a molecular weight of 389.12 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID107942008
Molecular FormulaC12H11Br2N3S
Molecular Weight389.12 g/mol
Exact Mass386.90
IUPAC NameN-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2nnc(CNC3CC3)s2)c(Br)c1
InChIInChI=1S/C12H11Br2N3S/c13-7-1-4-9(10(14)5-7)12-17-16-11(18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2
InChIKeyFPJWBHOCPBUKDF-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine 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

N-[3-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 114376162
N-[[5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 79756560
N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 107942017
N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 106690501
N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 107942038
N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 81479222
N-[[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82878882
N-[[5-(4-bromo-2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 115370313
N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 114823813
N-[[2-(2-bromo-4-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915419
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82831997
N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 107942008) is N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is Brc1ccc(-c2nnc(CNC3CC3)s2)c(Br)c1.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is FPJWBHOCPBUKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3S/c13-7-1-4-9(10(14)5-7)12-17-16-11(18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2.
What are the key properties of N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 389.12 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107942008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).