(3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone

C16H19ClN4O2S — CID 119048008

IUPAC(3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccnc(NC2CCN(C(=O)c3scc(C)c3Cl)CC2)n1
InChIInChI=1S/C16H19ClN4O2S/c1-10-9-24-14(13(10)17)15(22)21-7-4-11(5-8-21)19-16-18-6-3-12(20-16)23-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,19,20)
InChIKeySHQKXRJLZLRWRW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.23
Rot. Bonds4

About (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone

(3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 119048008) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID119048008
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccnc(NC2CCN(C(=O)c3scc(C)c3Cl)CC2)n1
InChIInChI=1S/C16H19ClN4O2S/c1-10-9-24-14(13(10)17)15(22)21-7-4-11(5-8-21)19-16-18-6-3-12(20-16)23-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,19,20)
InChIKeySHQKXRJLZLRWRW-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]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 (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone (CID 119048008) is (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone is COc1ccnc(NC2CCN(C(=O)c3scc(C)c3Cl)CC2)n1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is SHQKXRJLZLRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-10-9-24-14(13(10)17)15(22)21-7-4-11(5-8-21)19-16-18-6-3-12(20-16)23-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
(3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 366.87 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 119048008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).