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

C16H17N5OS — CID 110114307

IUPAC2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C16H17N5OS/c1-16(15-17-6-9-23-15)4-7-21(8-5-16)14(22)11-2-3-12-13(10-11)19-20-18-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,19,20)
InChIKeyNQYMROTUJKKZRT-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.61
Rot. Bonds2

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

2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110114307) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110114307
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C16H17N5OS/c1-16(15-17-6-9-23-15)4-7-21(8-5-16)14(22)11-2-3-12-13(10-11)19-20-18-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,19,20)
InChIKeyNQYMROTUJKKZRT-UHFFFAOYSA-N
XLogP2.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110114307) is 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC1(c2nccs2)CCN(C(=O)c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is NQYMROTUJKKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-16(15-17-6-9-23-15)4-7-21(8-5-16)14(22)11-2-3-12-13(10-11)19-20-18-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,19,20).
What are the key properties of 2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 327.41 g/mol, XLogP of 2.61, 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-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110114307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).