5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole

C10H16ClN3S — CID 104973764

IUPAC5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2ncc(Cl)s2)CC(C)N1
InChIInChI=1S/C10H16ClN3S/c1-7-4-14(5-8(2)13-7)6-10-12-3-9(11)15-10/h3,7-8,13H,4-6H2,1-2H3
InChIKeyLAEUMRCWBZOANV-UHFFFAOYSA-N
MW245.78 g/mol
LogP1.98
Rot. Bonds2

About 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole

5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 104973764) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID104973764
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2ncc(Cl)s2)CC(C)N1
InChIInChI=1S/C10H16ClN3S/c1-7-4-14(5-8(2)13-7)6-10-12-3-9(11)15-10/h3,7-8,13H,4-6H2,1-2H3
InChIKeyLAEUMRCWBZOANV-UHFFFAOYSA-N
XLogP1.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (CID 104973764) is 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is CC1CN(Cc2ncc(Cl)s2)CC(C)N1.
What is the InChIKey of 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is LAEUMRCWBZOANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-7-4-14(5-8(2)13-7)6-10-12-3-9(11)15-10/h3,7-8,13H,4-6H2,1-2H3.
What are the key properties of 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 245.78 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 104973764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).