(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C16H21N5OS — CID 164636933

IUPAC(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCC(c2nc3c(s2)CCC3)CC1)n1cncn1
InChIInChI=1S/C16H21N5OS/c1-11(21-10-17-9-18-21)16(22)20-7-5-12(6-8-20)15-19-13-3-2-4-14(13)23-15/h9-12H,2-8H2,1H3/t11-/m0/s1
InChIKeyLPZVESHSBIVZGF-NSHDSACASA-N
MW331.45 g/mol
LogP2.19
Rot. Bonds3

About (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 164636933) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID164636933
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCC(c2nc3c(s2)CCC3)CC1)n1cncn1
InChIInChI=1S/C16H21N5OS/c1-11(21-10-17-9-18-21)16(22)20-7-5-12(6-8-20)15-19-13-3-2-4-14(13)23-15/h9-12H,2-8H2,1H3/t11-/m0/s1
InChIKeyLPZVESHSBIVZGF-NSHDSACASA-N
XLogP2.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 164636933) is (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is C[C@@H](C(=O)N1CCC(c2nc3c(s2)CCC3)CC1)n1cncn1.
What is the InChIKey of (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is LPZVESHSBIVZGF-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11(21-10-17-9-18-21)16(22)20-7-5-12(6-8-20)15-19-13-3-2-4-14(13)23-15/h9-12H,2-8H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 331.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 164636933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).