N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C25H26N4O2S2 — CID 16535469

IUPACN-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCCCCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nc2ccccc2c1=O
InChIInChI=1S/C25H26N4O2S2/c1-4-5-13-28-23(31)21-11-6-7-12-22(21)27-24(28)32-15-19-16-33-25(26-19)29(18(3)30)20-10-8-9-17(2)14-20/h6-12,14,16H,4-5,13,15H2,1-3H3
InChIKeyDSFHBUKFSOKMCD-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.94
Rot. Bonds8

About N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 16535469) has the molecular formula C25H26N4O2S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID16535469
Molecular FormulaC25H26N4O2S2
Molecular Weight478.64 g/mol
Exact Mass478.15
IUPAC NameN-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCCCCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nc2ccccc2c1=O
InChIInChI=1S/C25H26N4O2S2/c1-4-5-13-28-23(31)21-11-6-7-12-22(21)27-24(28)32-15-19-16-33-25(26-19)29(18(3)30)20-10-8-9-17(2)14-20/h6-12,14,16H,4-5,13,15H2,1-3H3
InChIKeyDSFHBUKFSOKMCD-UHFFFAOYSA-N
XLogP5.94
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-N-[4-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4859048
N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31205969
2-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 16535530
N-(3-methylphenyl)-N-[4-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16507500
N-(3-methylphenyl)-N-[4-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 24584872
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-pentylquinazolin-4-one
CID 51365508
N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16527835
N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24591525
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
N-[4-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 55996612
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7855403
N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 55517514

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 16535469) is N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CCCCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nc2ccccc2c1=O.
What is the InChIKey of N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is DSFHBUKFSOKMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S2/c1-4-5-13-28-23(31)21-11-6-7-12-22(21)27-24(28)32-15-19-16-33-25(26-19)29(18(3)30)20-10-8-9-17(2)14-20/h6-12,14,16H,4-5,13,15H2,1-3H3.
What are the key properties of N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 16535469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).