2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide

C20H18N4OS — CID 175755185

IUPAC2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide
SMILESCC1(C)N=C(c2nc(-c3ccccc3C(N)=O)cs2)Nc2ccccc21
InChIInChI=1S/C20H18N4OS/c1-20(2)14-9-5-6-10-15(14)22-18(24-20)19-23-16(11-26-19)12-7-3-4-8-13(12)17(21)25/h3-11H,1-2H3,(H2,21,25)(H,22,24)
InChIKeyPMHIPUSSTQXYGI-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.02
Rot. Bonds3

About 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide

2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide (PubChem CID 175755185) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide
PubChem CID175755185
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide
SMILESCC1(C)N=C(c2nc(-c3ccccc3C(N)=O)cs2)Nc2ccccc21
InChIInChI=1S/C20H18N4OS/c1-20(2)14-9-5-6-10-15(14)22-18(24-20)19-23-16(11-26-19)12-7-3-4-8-13(12)17(21)25/h3-11H,1-2H3,(H2,21,25)(H,22,24)
InChIKeyPMHIPUSSTQXYGI-UHFFFAOYSA-N
XLogP4.02
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide (CID 175755185) is 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide is CC1(C)N=C(c2nc(-c3ccccc3C(N)=O)cs2)Nc2ccccc21.
What is the InChIKey of 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide?
The InChIKey is PMHIPUSSTQXYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-20(2)14-9-5-6-10-15(14)22-18(24-20)19-23-16(11-26-19)12-7-3-4-8-13(12)17(21)25/h3-11H,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide?
2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide has a molecular weight of 362.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 175755185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).