(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone

C14H17N3O2S — CID 43393894

IUPAC(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCCC(O)C3)c2)cs1
InChIInChI=1S/C14H17N3O2S/c1-9-16-13(8-20-9)10-5-12(15-6-10)14(19)17-4-2-3-11(18)7-17/h5-6,8,11,15,18H,2-4,7H2,1H3
InChIKeyVLXHCSTZCPTXMY-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.04
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone

(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone (PubChem CID 43393894) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
PubChem CID43393894
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCCC(O)C3)c2)cs1
InChIInChI=1S/C14H17N3O2S/c1-9-16-13(8-20-9)10-5-12(15-6-10)14(19)17-4-2-3-11(18)7-17/h5-6,8,11,15,18H,2-4,7H2,1H3
InChIKeyVLXHCSTZCPTXMY-UHFFFAOYSA-N
XLogP2.04
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-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 (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone (CID 43393894) is (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone is Cc1nc(-c2c[nH]c(C(=O)N3CCCC(O)C3)c2)cs1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The InChIKey is VLXHCSTZCPTXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-16-13(8-20-9)10-5-12(15-6-10)14(19)17-4-2-3-11(18)7-17/h5-6,8,11,15,18H,2-4,7H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone has a molecular weight of 291.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 43393894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).