1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea

C21H25N5OS — CID 70030416

IUPAC1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea
SMILESCN1C(NC(=O)Nc2csc(-c3ccccc3)n2)=CC=CC1C1CCNCC1
InChIInChI=1S/C21H25N5OS/c1-26-17(15-10-12-22-13-11-15)8-5-9-19(26)25-21(27)24-18-14-28-20(23-18)16-6-3-2-4-7-16/h2-9,14-15,17,22H,10-13H2,1H3,(H2,24,25,27)
InChIKeyZVSHGORBMVVULL-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.64
Rot. Bonds4

About 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea

1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea (PubChem CID 70030416) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea
PubChem CID70030416
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea
SMILESCN1C(NC(=O)Nc2csc(-c3ccccc3)n2)=CC=CC1C1CCNCC1
InChIInChI=1S/C21H25N5OS/c1-26-17(15-10-12-22-13-11-15)8-5-9-19(26)25-21(27)24-18-14-28-20(23-18)16-6-3-2-4-7-16/h2-9,14-15,17,22H,10-13H2,1H3,(H2,24,25,27)
InChIKeyZVSHGORBMVVULL-UHFFFAOYSA-N
XLogP3.64
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea 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 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea (CID 70030416) is 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea is CN1C(NC(=O)Nc2csc(-c3ccccc3)n2)=CC=CC1C1CCNCC1.
What is the InChIKey of 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea?
The InChIKey is ZVSHGORBMVVULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-26-17(15-10-12-22-13-11-15)8-5-9-19(26)25-21(27)24-18-14-28-20(23-18)16-6-3-2-4-7-16/h2-9,14-15,17,22H,10-13H2,1H3,(H2,24,25,27).
What are the key properties of 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea?
1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea has a molecular weight of 395.53 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 70030416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).