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

C12H15N3S2 — CID 99843851

IUPAC2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole
SMILESc1csc([C@@H]2CCCCN2Cc2cscn2)n1
InChIInChI=1S/C12H15N3S2/c1-2-5-15(7-10-8-16-9-14-10)11(3-1)12-13-4-6-17-12/h4,6,8-9,11H,1-3,5,7H2/t11-/m0/s1
InChIKeyJSTIVJMEZDJZEN-NSHDSACASA-N
MW265.41 g/mol
LogP3.33
Rot. Bonds3

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

2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole (PubChem CID 99843851) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole
PubChem CID99843851
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole
SMILESc1csc([C@@H]2CCCCN2Cc2cscn2)n1
InChIInChI=1S/C12H15N3S2/c1-2-5-15(7-10-8-16-9-14-10)11(3-1)12-13-4-6-17-12/h4,6,8-9,11H,1-3,5,7H2/t11-/m0/s1
InChIKeyJSTIVJMEZDJZEN-NSHDSACASA-N
XLogP3.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole (CID 99843851) is 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole is c1csc([C@@H]2CCCCN2Cc2cscn2)n1.
What is the InChIKey of 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole?
The InChIKey is JSTIVJMEZDJZEN-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-5-15(7-10-8-16-9-14-10)11(3-1)12-13-4-6-17-12/h4,6,8-9,11H,1-3,5,7H2/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole?
2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole has a molecular weight of 265.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 99843851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).