N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H15ClN4O2S2 — CID 47088820

IUPACN-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1csc(Sc2c(Cl)cccc2NC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C20H15ClN4O2S2/c1-12-10-28-20(23-12)29-18-14(21)6-4-8-16(18)24-17(26)9-25-11-22-15-7-3-2-5-13(15)19(25)27/h2-8,10-11H,9H2,1H3,(H,24,26)
InChIKeyPDRVAOKKICXZBA-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.60
Rot. Bonds5

About N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 47088820) has the molecular formula C20H15ClN4O2S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID47088820
Molecular FormulaC20H15ClN4O2S2
Molecular Weight442.95 g/mol
Exact Mass442.03
IUPAC NameN-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1csc(Sc2c(Cl)cccc2NC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C20H15ClN4O2S2/c1-12-10-28-20(23-12)29-18-14(21)6-4-8-16(18)24-17(26)9-25-11-22-15-7-3-2-5-13(15)19(25)27/h2-8,10-11H,9H2,1H3,(H,24,26)
InChIKeyPDRVAOKKICXZBA-UHFFFAOYSA-N
XLogP4.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide 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-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 21231739
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 17450612
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 8801516
N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 9440401

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 47088820) is N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1csc(Sc2c(Cl)cccc2NC(=O)Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PDRVAOKKICXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S2/c1-12-10-28-20(23-12)29-18-14(21)6-4-8-16(18)24-17(26)9-25-11-22-15-7-3-2-5-13(15)19(25)27/h2-8,10-11H,9H2,1H3,(H,24,26).
What are the key properties of N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 442.95 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 47088820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).