N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide

C20H21N5OS — CID 110237660

IUPACN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CC(C)(C)Cc2nc(-c3ccncc3)ncc21
InChIInChI=1S/C20H21N5OS/c1-12-17(27-11-23-12)19(26)25-16-9-20(2,3)8-15-14(16)10-22-18(24-15)13-4-6-21-7-5-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,25,26)
InChIKeyVAYCJRBTKKPRMC-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.75
Rot. Bonds3

About N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110237660) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110237660
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CC(C)(C)Cc2nc(-c3ccncc3)ncc21
InChIInChI=1S/C20H21N5OS/c1-12-17(27-11-23-12)19(26)25-16-9-20(2,3)8-15-14(16)10-22-18(24-15)13-4-6-21-7-5-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,25,26)
InChIKeyVAYCJRBTKKPRMC-UHFFFAOYSA-N
XLogP3.75
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide 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 N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 110237660) is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CC(C)(C)Cc2nc(-c3ccncc3)ncc21.
What is the InChIKey of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VAYCJRBTKKPRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-12-17(27-11-23-12)19(26)25-16-9-20(2,3)8-15-14(16)10-22-18(24-15)13-4-6-21-7-5-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,25,26).
What are the key properties of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110237660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).