5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

C9H11BrN4S2 — CID 115681173

IUPAC5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cnc(C(C)Nc2nnc(Br)s2)s1
InChIInChI=1S/C9H11BrN4S2/c1-3-6-4-11-7(15-6)5(2)12-9-14-13-8(10)16-9/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyLIKJTAWZOUYURK-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.49
Rot. Bonds4

About 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 115681173) has the molecular formula C9H11BrN4S2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID115681173
Molecular FormulaC9H11BrN4S2
Molecular Weight319.25 g/mol
Exact Mass317.96
IUPAC Name5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cnc(C(C)Nc2nnc(Br)s2)s1
InChIInChI=1S/C9H11BrN4S2/c1-3-6-4-11-7(15-6)5(2)12-9-14-13-8(10)16-9/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyLIKJTAWZOUYURK-UHFFFAOYSA-N
XLogP3.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448693
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964530
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112697226
2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
CID 113251679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 115681173) is 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is CCc1cnc(C(C)Nc2nnc(Br)s2)s1.
What is the InChIKey of 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LIKJTAWZOUYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S2/c1-3-6-4-11-7(15-6)5(2)12-9-14-13-8(10)16-9/h4-5H,3H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 319.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115681173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).