(5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride

C5H9ClN2S — CID 91758822

IUPAC(5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride
SMILESCc1scnc1CN.Cl
InChIInChI=1S/C5H8N2S.ClH/c1-4-5(2-6)7-3-8-4;/h3H,2,6H2,1H3;1H
InChIKeyGYQFTUFTHIEGBE-UHFFFAOYSA-N
MW164.66 g/mol
LogP1.33
Rot. Bonds1

About (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride

(5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride (PubChem CID 91758822) has the molecular formula C5H9ClN2S and a molecular weight of 164.66 g/mol. Its IUPAC name is (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride
PubChem CID91758822
Molecular FormulaC5H9ClN2S
Molecular Weight164.66 g/mol
Exact Mass164.02
IUPAC Name(5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride
SMILESCc1scnc1CN.Cl
InChIInChI=1S/C5H8N2S.ClH/c1-4-5(2-6)7-3-8-4;/h3H,2,6H2,1H3;1H
InChIKeyGYQFTUFTHIEGBE-UHFFFAOYSA-N
XLogP1.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride (CID 91758822) is (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride is Cc1scnc1CN.Cl.
What is the InChIKey of (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The InChIKey is GYQFTUFTHIEGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.ClH/c1-4-5(2-6)7-3-8-4;/h3H,2,6H2,1H3;1H.
What are the key properties of (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
(5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride has a molecular weight of 164.66 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-thiazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 91758822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).