[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

C15H21N5OS — CID 99927369

IUPAC[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)c3nc(C(C)C)cs3)C2)n[nH]1
InChIInChI=1S/C15H21N5OS/c1-9(2)12-8-22-14(17-12)15(21)20-6-4-5-11(7-20)13-16-10(3)18-19-13/h8-9,11H,4-7H2,1-3H3,(H,16,18,19)/t11-/m1/s1
InChIKeyIJSDZYHUYMJBSF-LLVKDONJSA-N
MW319.43 g/mol
LogP2.71
Rot. Bonds3

About [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 99927369) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID99927369
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)c3nc(C(C)C)cs3)C2)n[nH]1
InChIInChI=1S/C15H21N5OS/c1-9(2)12-8-22-14(17-12)15(21)20-6-4-5-11(7-20)13-16-10(3)18-19-13/h8-9,11H,4-7H2,1-3H3,(H,16,18,19)/t11-/m1/s1
InChIKeyIJSDZYHUYMJBSF-LLVKDONJSA-N
XLogP2.71
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (CID 99927369) is [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is Cc1nc([C@@H]2CCCN(C(=O)c3nc(C(C)C)cs3)C2)n[nH]1.
What is the InChIKey of [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is IJSDZYHUYMJBSF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-9(2)12-8-22-14(17-12)15(21)20-6-4-5-11(7-20)13-16-10(3)18-19-13/h8-9,11H,4-7H2,1-3H3,(H,16,18,19)/t11-/m1/s1.
What are the key properties of [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 99927369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).