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

C13H20ClN5S2 — CID 120901161

IUPAC5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N2CCN(Cc3cnc(N)s3)CC2)sc1C.Cl
InChIInChI=1S/C13H19N5S2.ClH/c1-9-10(2)19-13(16-9)18-5-3-17(4-6-18)8-11-7-15-12(14)20-11;/h7H,3-6,8H2,1-2H3,(H2,14,15);1H
InChIKeyZPNXLEWTGNIHDD-UHFFFAOYSA-N
MW345.93 g/mol
LogP2.54
Rot. Bonds3

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

5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901161) has the molecular formula C13H20ClN5S2 and a molecular weight of 345.93 g/mol. Its IUPAC name is 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901161
Molecular FormulaC13H20ClN5S2
Molecular Weight345.93 g/mol
Exact Mass345.08
IUPAC Name5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N2CCN(Cc3cnc(N)s3)CC2)sc1C.Cl
InChIInChI=1S/C13H19N5S2.ClH/c1-9-10(2)19-13(16-9)18-5-3-17(4-6-18)8-11-7-15-12(14)20-11;/h7H,3-6,8H2,1-2H3,(H2,14,15);1H
InChIKeyZPNXLEWTGNIHDD-UHFFFAOYSA-N
XLogP2.54
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.93
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901161) is 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cc1nc(N2CCN(Cc3cnc(N)s3)CC2)sc1C.Cl.
What is the InChIKey of 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZPNXLEWTGNIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2.ClH/c1-9-10(2)19-13(16-9)18-5-3-17(4-6-18)8-11-7-15-12(14)20-11;/h7H,3-6,8H2,1-2H3,(H2,14,15);1H.
What are the key properties of 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 345.93 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).