4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride

C5H8Cl2N2S — CID 165441078

IUPAC4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(CCCl)cs1
InChIInChI=1S/C5H7ClN2S.ClH/c6-2-1-4-3-9-5(7)8-4;/h3H,1-2H2,(H2,7,8);1H
InChIKeyOINBWQREBNWUKL-UHFFFAOYSA-N
MW199.11 g/mol
LogP1.93
Rot. Bonds2

About 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride

4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 165441078) has the molecular formula C5H8Cl2N2S and a molecular weight of 199.11 g/mol. Its IUPAC name is 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID165441078
Molecular FormulaC5H8Cl2N2S
Molecular Weight199.11 g/mol
Exact Mass197.98
IUPAC Name4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(CCCl)cs1
InChIInChI=1S/C5H7ClN2S.ClH/c6-2-1-4-3-9-5(7)8-4;/h3H,1-2H2,(H2,7,8);1H
InChIKeyOINBWQREBNWUKL-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)
CID 73228
4-Chloromethylthiazol-2-ylamine
CID 73229
4-Ethyl-1,3-thiazol-2-amine
CID 12378205
4-(Propan-2-yl)-1,3-thiazol-2-amine
CID 7064077
4-Ethyl-1,3-thiazol-2-amine hydrochloride
CID 50988207
4-(2-Aminoethyl)-1,3-thiazol-2-amine dihydrochloride
CID 71685850
4-Propyl-1,3-thiazol-2-amine hydrochloride
CID 71757760
2-(4-(Chloromethyl)thiazol-2-YL)guanidine
CID 5095891
Guanidine, N-[4-(chloromethyl)-2-thiazolyl]-, hydrochloride (1:1)
CID 15572355
2-Amino-4-(chloromethyl)thiazole hcl
CID 51064152
4-(Propan-2-yl)-1,3-thiazol-2-amine hydrochloride
CID 54595498
4-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-amine hydrochloride
CID 119056880

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride (CID 165441078) is 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(CCCl)cs1.
What is the InChIKey of 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is OINBWQREBNWUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S.ClH/c6-2-1-4-3-9-5(7)8-4;/h3H,1-2H2,(H2,7,8);1H.
What are the key properties of 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride?
4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 199.11 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 165441078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).