N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H8Br2N2S — CID 61477483

IUPACN-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccc(NC2=NCCS2)c(Br)c1
InChIInChI=1S/C9H8Br2N2S/c10-6-1-2-8(7(11)5-6)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyZXDYDTAXHTXFGE-UHFFFAOYSA-N
MW336.05 g/mol
LogP3.73
Rot. Bonds1

About N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61477483) has the molecular formula C9H8Br2N2S and a molecular weight of 336.05 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61477483
Molecular FormulaC9H8Br2N2S
Molecular Weight336.05 g/mol
Exact Mass333.88
IUPAC NameN-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccc(NC2=NCCS2)c(Br)c1
InChIInChI=1S/C9H8Br2N2S/c10-6-1-2-8(7(11)5-6)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyZXDYDTAXHTXFGE-UHFFFAOYSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107614115
N-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068132
N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81275151
N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
CID 145171963
N-(2,4-dibromophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362987
N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 3055292
N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102854293
1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760299
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylbenzonitrile
CID 62103967
1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)thiourea
CID 21178741
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
2,6-dibromo-N-(2,4-dibromophenyl)aniline
CID 101290135

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61477483) is N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Brc1ccc(NC2=NCCS2)c(Br)c1.
What is the InChIKey of N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZXDYDTAXHTXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2S/c10-6-1-2-8(7(11)5-6)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 336.05 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61477483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).