N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide

C14H17N3OS — CID 2607919

IUPACN-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-12(18)8-19-13-10-6-4-5-7-11(10)15-9-16-13/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyXYTGJCMRRSADFM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.64
Rot. Bonds3

About N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide

N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2607919) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2607919
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-12(18)8-19-13-10-6-4-5-7-11(10)15-9-16-13/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyXYTGJCMRRSADFM-UHFFFAOYSA-N
XLogP2.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
CID 43028222
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-(2-methyl-6-propan-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412358
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
CID 9325470
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17492618

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide (CID 2607919) is N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide is CC(C)(C)NC(=O)CSc1ncnc2ccccc12.
What is the InChIKey of N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is XYTGJCMRRSADFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)17-12(18)8-19-13-10-6-4-5-7-11(10)15-9-16-13/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide?
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2607919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).