5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C9H13ClN4S2 — CID 120900861

IUPAC5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)Cc1nccs1.Cl
InChIInChI=1S/C9H12N4S2.ClH/c1-13(6-8-11-2-3-14-8)5-7-4-12-9(10)15-7;/h2-4H,5-6H2,1H3,(H2,10,12);1H
InChIKeyFZSJIJHAPVZBMO-UHFFFAOYSA-N
MW276.82 g/mol
LogP2.24
Rot. Bonds4

About 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120900861) has the molecular formula C9H13ClN4S2 and a molecular weight of 276.82 g/mol. Its IUPAC name is 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120900861
Molecular FormulaC9H13ClN4S2
Molecular Weight276.82 g/mol
Exact Mass276.03
IUPAC Name5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)Cc1nccs1.Cl
InChIInChI=1S/C9H12N4S2.ClH/c1-13(6-8-11-2-3-14-8)5-7-4-12-9(10)15-7;/h2-4H,5-6H2,1H3,(H2,10,12);1H
InChIKeyFZSJIJHAPVZBMO-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120900861) is 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1cnc(N)s1)Cc1nccs1.Cl.
What is the InChIKey of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FZSJIJHAPVZBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2.ClH/c1-13(6-8-11-2-3-14-8)5-7-4-12-9(10)15-7;/h2-4H,5-6H2,1H3,(H2,10,12);1H.
What are the key properties of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 276.82 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120900861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).