2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride

C5H8Cl2N2S — CID 75481398

IUPAC2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1cnc(Cl)s1
InChIInChI=1S/C5H7ClN2S.ClH/c6-5-8-3-4(9-5)1-2-7;/h3H,1-2,7H2;1H
InChIKeyWDMQOOLKBSARDY-UHFFFAOYSA-N
MW199.11 g/mol
LogP1.72
Rot. Bonds2

About 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride

2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (PubChem CID 75481398) has the molecular formula C5H8Cl2N2S and a molecular weight of 199.11 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
PubChem CID75481398
Molecular FormulaC5H8Cl2N2S
Molecular Weight199.11 g/mol
Exact Mass197.98
IUPAC Name2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1cnc(Cl)s1
InChIInChI=1S/C5H7ClN2S.ClH/c6-5-8-3-4(9-5)1-2-7;/h3H,1-2,7H2;1H
InChIKeyWDMQOOLKBSARDY-UHFFFAOYSA-N
XLogP1.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
5-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 13637167
2-Chloro-5-aminomethylthiazole
CID 10154129
5-Ethylthiazole
CID 519456
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
5-[2-(Methylamino)ethyl]-1,3-thiazol-2-amine
CID 13637169
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
5-(2-Aminoethyl)-1,3-thiazol-2-amine--hydrogen chloride (1/2)
CID 13637168
(2-Chloro-1,3-thiazol-5-yl)methanamine hydrochloride
CID 18349540
1-(1,3-Thiazol-5-yl)ethan-1-amine
CID 19817653
2-Chloro-5-(1-chloroethyl)thiazole
CID 21698297

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (CID 75481398) is 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1cnc(Cl)s1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is WDMQOOLKBSARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S.ClH/c6-5-8-3-4(9-5)1-2-7;/h3H,1-2,7H2;1H.
What are the key properties of 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 199.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 75481398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).