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

C4H6Cl2N2S — CID 74890022

IUPAC(5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(Cl)s1
InChIInChI=1S/C4H5ClN2S.ClH/c5-3-2-7-4(1-6)8-3;/h2H,1,6H2;1H
InChIKeyUYPOKAOPBHGBLR-UHFFFAOYSA-N
MW185.08 g/mol
LogP1.68
Rot. Bonds1

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

(5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride (PubChem CID 74890022) has the molecular formula C4H6Cl2N2S and a molecular weight of 185.08 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride
PubChem CID74890022
Molecular FormulaC4H6Cl2N2S
Molecular Weight185.08 g/mol
Exact Mass183.96
IUPAC Name(5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(Cl)s1
InChIInChI=1S/C4H5ClN2S.ClH/c5-3-2-7-4(1-6)8-3;/h2H,1,6H2;1H
InChIKeyUYPOKAOPBHGBLR-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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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride (CID 74890022) is (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride is Cl.NCc1ncc(Cl)s1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride?
The InChIKey is UYPOKAOPBHGBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S.ClH/c5-3-2-7-4(1-6)8-3;/h2H,1,6H2;1H.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride?
(5-chloro-1,3-thiazol-2-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 (5-chloro-1,3-thiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 74890022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).