4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole

C9H14N2S — CID 42078596

IUPAC4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
SMILESCc1csc([C@H]2CCCNC2)n1
InChIInChI=1S/C9H14N2S/c1-7-6-12-9(11-7)8-3-2-4-10-5-8/h6,8,10H,2-5H2,1H3/t8-/m0/s1
InChIKeyWFKAJMCEZSRFSB-QMMMGPOBSA-N
MW182.29 g/mol
LogP1.92
Rot. Bonds1

About 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole

4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole (PubChem CID 42078596) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
PubChem CID42078596
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
SMILESCc1csc([C@H]2CCCNC2)n1
InChIInChI=1S/C9H14N2S/c1-7-6-12-9(11-7)8-3-2-4-10-5-8/h6,8,10H,2-5H2,1H3/t8-/m0/s1
InChIKeyWFKAJMCEZSRFSB-QMMMGPOBSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole (CID 42078596) is 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole is Cc1csc([C@H]2CCCNC2)n1.
What is the InChIKey of 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole?
The InChIKey is WFKAJMCEZSRFSB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-6-12-9(11-7)8-3-2-4-10-5-8/h6,8,10H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole?
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole has a molecular weight of 182.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 42078596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).