2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole

C17H21N3O2S — CID 70990329

IUPAC2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc2c(OC)nc(C3=NC(C(C)C)CS3)nc2c1C
InChIInChI=1S/C17H21N3O2S/c1-9(2)12-8-23-17(18-12)15-19-14-10(3)13(21-4)7-6-11(14)16(20-15)22-5/h6-7,9,12H,8H2,1-5H3
InChIKeyZNSLCCZFMNDYSH-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.47
Rot. Bonds4

About 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole

2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 70990329) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID70990329
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc2c(OC)nc(C3=NC(C(C)C)CS3)nc2c1C
InChIInChI=1S/C17H21N3O2S/c1-9(2)12-8-23-17(18-12)15-19-14-10(3)13(21-4)7-6-11(14)16(20-15)22-5/h6-7,9,12H,8H2,1-5H3
InChIKeyZNSLCCZFMNDYSH-UHFFFAOYSA-N
XLogP3.47
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole (CID 70990329) is 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole is COc1ccc2c(OC)nc(C3=NC(C(C)C)CS3)nc2c1C.
What is the InChIKey of 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is ZNSLCCZFMNDYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-9(2)12-8-23-17(18-12)15-19-14-10(3)13(21-4)7-6-11(14)16(20-15)22-5/h6-7,9,12H,8H2,1-5H3.
What are the key properties of 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethoxy-8-methylquinazolin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70990329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).