2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

C19H22N4O3S2 — CID 43071635

IUPAC2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCOCCn1c(SCc2csc(CC(=O)N(C)C)n2)nc2ccccc2c1=O
InChIInChI=1S/C19H22N4O3S2/c1-22(2)17(24)10-16-20-13(11-27-16)12-28-19-21-15-7-5-4-6-14(15)18(25)23(19)8-9-26-3/h4-7,11H,8-10,12H2,1-3H3
InChIKeyCUXVYTCOCFOCFO-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.42
Rot. Bonds8

About 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 43071635) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID43071635
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCOCCn1c(SCc2csc(CC(=O)N(C)C)n2)nc2ccccc2c1=O
InChIInChI=1S/C19H22N4O3S2/c1-22(2)17(24)10-16-20-13(11-27-16)12-28-19-21-15-7-5-4-6-14(15)18(25)23(19)8-9-26-3/h4-7,11H,8-10,12H2,1-3H3
InChIKeyCUXVYTCOCFOCFO-UHFFFAOYSA-N
XLogP2.42
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide 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

7-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3250794
2-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 16535530
2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 38868239
N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31205969
ethyl 2-(N-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 3173058
3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
CID 2082259
3-(2-methoxyethyl)-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 9360367
3-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 8833695
3-[(4-methoxyphenyl)methyl]-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 46531309
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 2610667
methyl 2-[2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate
CID 24680740

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 43071635) is 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is COCCn1c(SCc2csc(CC(=O)N(C)C)n2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is CUXVYTCOCFOCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-22(2)17(24)10-16-20-13(11-27-16)12-28-19-21-15-7-5-4-6-14(15)18(25)23(19)8-9-26-3/h4-7,11H,8-10,12H2,1-3H3.
What are the key properties of 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 418.54 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43071635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).