2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H23N5OS — CID 6413279

IUPAC2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1csc(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)16-11-26-17(20-16)12-6-8-24(9-7-12)18(25)13-4-5-14-15(10-13)22-23-21-14/h4-5,10-12H,6-9H2,1-3H3,(H,21,22,23)
InChIKeyHGLLGDZCBUVVOU-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.73
Rot. Bonds2

About 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 6413279) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID6413279
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1csc(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)16-11-26-17(20-16)12-6-8-24(9-7-12)18(25)13-4-5-14-15(10-13)22-23-21-14/h4-5,10-12H,6-9H2,1-3H3,(H,21,22,23)
InChIKeyHGLLGDZCBUVVOU-UHFFFAOYSA-N
XLogP3.73
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 6413279) is 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC(C)(C)c1csc(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n1.
What is the InChIKey of 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HGLLGDZCBUVVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-19(2,3)16-11-26-17(20-16)12-6-8-24(9-7-12)18(25)13-4-5-14-15(10-13)22-23-21-14/h4-5,10-12H,6-9H2,1-3H3,(H,21,22,23).
What are the key properties of 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 6413279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).