N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine

C17H13N5OS — CID 145386186

IUPACN-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ncc4ccccc4n3)cs2)cn1
InChIInChI=1S/C17H13N5OS/c1-23-15-7-6-12(9-18-15)20-17-22-14(10-24-17)16-19-8-11-4-2-3-5-13(11)21-16/h2-10H,1H3,(H,20,22)
InChIKeyYSHNCMLCBZVXAG-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.90
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine

N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine (PubChem CID 145386186) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine
PubChem CID145386186
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ncc4ccccc4n3)cs2)cn1
InChIInChI=1S/C17H13N5OS/c1-23-15-7-6-12(9-18-15)20-17-22-14(10-24-17)16-19-8-11-4-2-3-5-13(11)21-16/h2-10H,1H3,(H,20,22)
InChIKeyYSHNCMLCBZVXAG-UHFFFAOYSA-N
XLogP3.90
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine (CID 145386186) is N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ncc4ccccc4n3)cs2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine?
The InChIKey is YSHNCMLCBZVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-23-15-7-6-12(9-18-15)20-17-22-14(10-24-17)16-19-8-11-4-2-3-5-13(11)21-16/h2-10H,1H3,(H,20,22).
What are the key properties of N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine?
N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine has a molecular weight of 335.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-4-quinazolin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 145386186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).