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

C8H9ClN2S2 — CID 72720123

IUPAC4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1csc(-c2csc(N)n2)c1.Cl
InChIInChI=1S/C8H8N2S2.ClH/c1-5-2-7(11-3-5)6-4-12-8(9)10-6;/h2-4H,1H3,(H2,9,10);1H
InChIKeyWFIIIGFMHRQVAM-UHFFFAOYSA-N
MW232.76 g/mol
LogP3.18
Rot. Bonds1

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

4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 72720123) has the molecular formula C8H9ClN2S2 and a molecular weight of 232.76 g/mol. Its IUPAC name is 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID72720123
Molecular FormulaC8H9ClN2S2
Molecular Weight232.76 g/mol
Exact Mass231.99
IUPAC Name4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1csc(-c2csc(N)n2)c1.Cl
InChIInChI=1S/C8H8N2S2.ClH/c1-5-2-7(11-3-5)6-4-12-8(9)10-6;/h2-4H,1H3,(H2,9,10);1H
InChIKeyWFIIIGFMHRQVAM-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride (CID 72720123) is 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride is Cc1csc(-c2csc(N)n2)c1.Cl.
What is the InChIKey of 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is WFIIIGFMHRQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2.ClH/c1-5-2-7(11-3-5)6-4-12-8(9)10-6;/h2-4H,1H3,(H2,9,10);1H.
What are the key properties of 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride?
4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 232.76 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 72720123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).