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

C10H16ClN3S — CID 107124507

IUPAC5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2ncc(Cl)s2)C(C)CN1
InChIInChI=1S/C10H16ClN3S/c1-7-5-14(8(2)3-12-7)6-10-13-4-9(11)15-10/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyZKCNPJYWONNEHN-UHFFFAOYSA-N
MW245.78 g/mol
LogP1.98
Rot. Bonds2

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

5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 107124507) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID107124507
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2ncc(Cl)s2)C(C)CN1
InChIInChI=1S/C10H16ClN3S/c1-7-5-14(8(2)3-12-7)6-10-13-4-9(11)15-10/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyZKCNPJYWONNEHN-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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Related Compounds

1-[1-(1,3-Thiazol-2-yl)ethyl]piperazine
CID 45789030
1-(5-Chloro-1,3-thiazol-2-yl)propan-1-amine hydrochloride
CID 165589647
1-(5-Chloro-1,3-thiazol-2-yl)propan-1-amine
CID 66220871
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 104879265
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 104879274
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 104879656
cis-(1R,2S)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 126997360
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-fluorocyclopentan-1-amine
CID 130878739
2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole
CID 57462209
3-Methyl-1-(2-thiazolylmethyl)piperazine
CID 64926538
2-Methyl-1-(2-thiazolylmethyl)piperazine
CID 64932692
1-(5-Chloro-1,3-thiazol-2-yl)ethan-1-amine
CID 66224103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (CID 107124507) is 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is CC1CN(Cc2ncc(Cl)s2)C(C)CN1.
What is the InChIKey of 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZKCNPJYWONNEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-7-5-14(8(2)3-12-7)6-10-13-4-9(11)15-10/h4,7-8,12H,3,5-6H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
5-chloro-2-[(2,5-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-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 107124507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).