N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C18H12F3N5OS — CID 89347875

IUPACN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(C(F)(F)F)cs3)c2c1
InChIInChI=1S/C18H12F3N5OS/c1-27-11-4-5-13-12(7-11)16(25-15(23-13)10-3-2-6-22-8-10)26-17-24-14(9-28-17)18(19,20)21/h2-9H,1H3,(H,23,24,25,26)
InChIKeyICSMUYKECIGKOX-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.92
Rot. Bonds4

About N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 89347875) has the molecular formula C18H12F3N5OS and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID89347875
Molecular FormulaC18H12F3N5OS
Molecular Weight403.39 g/mol
Exact Mass403.07
IUPAC NameN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(C(F)(F)F)cs3)c2c1
InChIInChI=1S/C18H12F3N5OS/c1-27-11-4-5-13-12(7-11)16(25-15(23-13)10-3-2-6-22-8-10)26-17-24-14(9-28-17)18(19,20)21/h2-9H,1H3,(H,23,24,25,26)
InChIKeyICSMUYKECIGKOX-UHFFFAOYSA-N
XLogP4.92
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 89347875) is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3nc(C(F)(F)F)cs3)c2c1.
What is the InChIKey of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is ICSMUYKECIGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5OS/c1-27-11-4-5-13-12(7-11)16(25-15(23-13)10-3-2-6-22-8-10)26-17-24-14(9-28-17)18(19,20)21/h2-9H,1H3,(H,23,24,25,26).
What are the key properties of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 403.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89347875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).