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

C4H6Cl2N2S — CID 18349540

IUPAC(2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2S.ClH/c5-4-7-2-3(1-6)8-4;/h2H,1,6H2;1H
InChIKeyQWCUHOCIRYNOOH-UHFFFAOYSA-N
MW185.08 g/mol
LogP1.68
Rot. Bonds1

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

(2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride (PubChem CID 18349540) has the molecular formula C4H6Cl2N2S and a molecular weight of 185.08 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride
PubChem CID18349540
Molecular FormulaC4H6Cl2N2S
Molecular Weight185.08 g/mol
Exact Mass183.96
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2S.ClH/c5-4-7-2-3(1-6)8-4;/h2H,1,6H2;1H
InChIKeyQWCUHOCIRYNOOH-UHFFFAOYSA-N
XLogP1.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylthiazole
CID 137980
N-[(2-Chloro-5-thiazolyl)methyl]-N'-methylguanidine
CID 71372509
2-Chloro-5-aminomethylthiazole
CID 10154129
[(2-Chloro-1,3-thiazol-5-yl)methyl]urea
CID 53236471
[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
5-(Aminomethyl)-1,3-thiazole
CID 5304077
2-Chloro-5-chloromethylthiazole
CID 2763179
2-Chloro-5-methyl-1,3-thiazole
CID 10997083
5-(Chloromethyl)-1,3-thiazole hydrochloride
CID 22319457
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
1-(2-Methoxy-1,3-thiazol-5-yl)methanamine
CID 16494790
(1,3-Thiazol-5-yl)methanamine hydrochloride
CID 17750968

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride (CID 18349540) is (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride is Cl.NCc1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride?
The InChIKey is QWCUHOCIRYNOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S.ClH/c5-4-7-2-3(1-6)8-4;/h2H,1,6H2;1H.
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride?
(2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride has a molecular weight of 185.08 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 18349540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).