N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C19H22N4O2S2 — CID 31205969

IUPACN-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2ccccc2c1=O
InChIInChI=1S/C19H22N4O2S2/c1-4-10-23-17(25)15-8-6-7-9-16(15)21-19(23)27-12-14-11-26-18(20-14)22(5-2)13(3)24/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyPYNXCVLWSIGEQA-UHFFFAOYSA-N
MW402.55 g/mol
LogP3.93
Rot. Bonds7

About N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 31205969) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID31205969
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC NameN-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2ccccc2c1=O
InChIInChI=1S/C19H22N4O2S2/c1-4-10-23-17(25)15-8-6-7-9-16(15)21-19(23)27-12-14-11-26-18(20-14)22(5-2)13(3)24/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyPYNXCVLWSIGEQA-UHFFFAOYSA-N
XLogP3.93
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 33325060
N-[4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16535469
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 31097218
N-(3,4-dimethylphenyl)-N-[4-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4859048
2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43071635
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
2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
CID 110931345
N-[4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 31209607
(2R)-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 9329810
3-ethyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 7907166

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 31205969) is N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2ccccc2c1=O.
What is the InChIKey of N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PYNXCVLWSIGEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-4-10-23-17(25)15-8-6-7-9-16(15)21-19(23)27-12-14-11-26-18(20-14)22(5-2)13(3)24/h6-9,11H,4-5,10,12H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 31205969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).