4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole

C15H24N2S2 — CID 70807661

IUPAC4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1CSC1CCCCC1
InChIInChI=1S/C15H24N2S2/c1-2-4-14(5-3-1)18-10-13-11-19-15(17-13)12-6-8-16-9-7-12/h11-12,14,16H,1-10H2
InChIKeyIAIZHUFBZWXIFE-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.18
Rot. Bonds4

About 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole

4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 70807661) has the molecular formula C15H24N2S2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID70807661
Molecular FormulaC15H24N2S2
Molecular Weight296.50 g/mol
Exact Mass296.14
IUPAC Name4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1CSC1CCCCC1
InChIInChI=1S/C15H24N2S2/c1-2-4-14(5-3-1)18-10-13-11-19-15(17-13)12-6-8-16-9-7-12/h11-12,14,16H,1-10H2
InChIKeyIAIZHUFBZWXIFE-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole (CID 70807661) is 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole is c1sc(C2CCNCC2)nc1CSC1CCCCC1.
What is the InChIKey of 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is IAIZHUFBZWXIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S2/c1-2-4-14(5-3-1)18-10-13-11-19-15(17-13)12-6-8-16-9-7-12/h11-12,14,16H,1-10H2.
What are the key properties of 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole?
4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 296.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 70807661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).