1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine

C19H21FN4S — CID 42467919

IUPAC1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESCc1nc(N2CCC(NCc3ccsc3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H21FN4S/c1-13-17-10-15(20)2-3-18(17)23-19(22-13)24-7-4-16(5-8-24)21-11-14-6-9-25-12-14/h2-3,6,9-10,12,16,21H,4-5,7-8,11H2,1H3
InChIKeyGYYWHOAYWCMKAZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.90
Rot. Bonds4

About 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine

1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine (PubChem CID 42467919) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
PubChem CID42467919
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESCc1nc(N2CCC(NCc3ccsc3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H21FN4S/c1-13-17-10-15(20)2-3-18(17)23-19(22-13)24-7-4-16(5-8-24)21-11-14-6-9-25-12-14/h2-3,6,9-10,12,16,21H,4-5,7-8,11H2,1H3
InChIKeyGYYWHOAYWCMKAZ-UHFFFAOYSA-N
XLogP3.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine 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-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine (CID 42467919) is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine is Cc1nc(N2CCC(NCc3ccsc3)CC2)nc2ccc(F)cc12.
What is the InChIKey of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The InChIKey is GYYWHOAYWCMKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S/c1-13-17-10-15(20)2-3-18(17)23-19(22-13)24-7-4-16(5-8-24)21-11-14-6-9-25-12-14/h2-3,6,9-10,12,16,21H,4-5,7-8,11H2,1H3.
What are the key properties of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine?
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 42467919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).