5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H19ClN6S — CID 120903884

IUPAC5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nccnc1N1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C13H18N6S.ClH/c1-10-12(16-3-2-15-10)19-6-4-18(5-7-19)9-11-8-17-13(14)20-11;/h2-3,8H,4-7,9H2,1H3,(H2,14,17);1H
InChIKeyCWXFQXRDZQNQLT-UHFFFAOYSA-N
MW326.86 g/mol
LogP1.57
Rot. Bonds3

About 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903884) has the molecular formula C13H19ClN6S and a molecular weight of 326.86 g/mol. Its IUPAC name is 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903884
Molecular FormulaC13H19ClN6S
Molecular Weight326.86 g/mol
Exact Mass326.11
IUPAC Name5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nccnc1N1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C13H18N6S.ClH/c1-10-12(16-3-2-15-10)19-6-4-18(5-7-19)9-11-8-17-13(14)20-11;/h2-3,8H,4-7,9H2,1H3,(H2,14,17);1H
InChIKeyCWXFQXRDZQNQLT-UHFFFAOYSA-N
XLogP1.57
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.86
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
CID 163368436
4-Methyl-2-[2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 53620824
5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
CID 95825736
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-2-pyrazinamine
CID 39796621
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 91651070
2-[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-5-methyl-1,3-thiazole
CID 124296068
6-(5-Methyl-1,3-thiazol-2-yl)pyrazin-2-amine
CID 89142526
N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
CID 141126616
N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
CID 145040967
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
CID 175454326
6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19138221
6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19138400

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903884) is 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cc1nccnc1N1CCN(Cc2cnc(N)s2)CC1.Cl.
What is the InChIKey of 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is CWXFQXRDZQNQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S.ClH/c1-10-12(16-3-2-15-10)19-6-4-18(5-7-19)9-11-8-17-13(14)20-11;/h2-3,8H,4-7,9H2,1H3,(H2,14,17);1H.
What are the key properties of 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 326.86 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-methylpyrazin-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).