4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine

C8H13ClN4S — CID 83152797

IUPAC4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine
SMILESCN1CCN(Nc2nc(Cl)cs2)CC1
InChIInChI=1S/C8H13ClN4S/c1-12-2-4-13(5-3-12)11-8-10-7(9)6-14-8/h6H,2-5H2,1H3,(H,10,11)
InChIKeyFUOZYUYUTXMPCX-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.37
Rot. Bonds2

About 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine

4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine (PubChem CID 83152797) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine
PubChem CID83152797
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine
SMILESCN1CCN(Nc2nc(Cl)cs2)CC1
InChIInChI=1S/C8H13ClN4S/c1-12-2-4-13(5-3-12)11-8-10-7(9)6-14-8/h6H,2-5H2,1H3,(H,10,11)
InChIKeyFUOZYUYUTXMPCX-UHFFFAOYSA-N
XLogP1.37
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine (CID 83152797) is 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine is CN1CCN(Nc2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine?
The InChIKey is FUOZYUYUTXMPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-12-2-4-13(5-3-12)11-8-10-7(9)6-14-8/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine?
4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine has a molecular weight of 232.74 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).