4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole

C15H20N4S — CID 56821968

IUPAC4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCC1CCCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H20N4S/c1-12-4-2-8-19(9-5-12)10-13-11-20-15(18-13)14-16-6-3-7-17-14/h3,6-7,11-12H,2,4-5,8-10H2,1H3
InChIKeyUSTKVGOELKEAAG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.22
Rot. Bonds3

About 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 56821968) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID56821968
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCC1CCCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H20N4S/c1-12-4-2-8-19(9-5-12)10-13-11-20-15(18-13)14-16-6-3-7-17-14/h3,6-7,11-12H,2,4-5,8-10H2,1H3
InChIKeyUSTKVGOELKEAAG-UHFFFAOYSA-N
XLogP3.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole 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 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 56821968) is 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole is CC1CCCN(Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is USTKVGOELKEAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12-4-2-8-19(9-5-12)10-13-11-20-15(18-13)14-16-6-3-7-17-14/h3,6-7,11-12H,2,4-5,8-10H2,1H3.
What are the key properties of 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 56821968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).