4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C14H23N3S — CID 21392466

IUPAC4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(C3CCCCC3)cs2)CC1
InChIInChI=1S/C14H23N3S/c1-16-7-9-17(10-8-16)14-15-13(11-18-14)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyAVYQKJMCSGDSRP-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.94
Rot. Bonds2

About 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 21392466) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID21392466
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(C3CCCCC3)cs2)CC1
InChIInChI=1S/C14H23N3S/c1-16-7-9-17(10-8-16)14-15-13(11-18-14)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyAVYQKJMCSGDSRP-UHFFFAOYSA-N
XLogP2.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 21392466) is 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2nc(C3CCCCC3)cs2)CC1.
What is the InChIKey of 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is AVYQKJMCSGDSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-16-7-9-17(10-8-16)14-15-13(11-18-14)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 21392466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).