2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

C26H29N5O2S2 — CID 2420603

IUPAC2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
SMILESCc1ccc(Nc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)cs2)cc1
InChIInChI=1S/C26H29N5O2S2/c1-19-7-9-20(10-8-19)27-25-28-21(17-34-25)18-35-26-29-23-6-3-2-5-22(23)24(32)31(26)12-4-11-30-13-15-33-16-14-30/h2-3,5-10,17H,4,11-16,18H2,1H3,(H,27,28)
InChIKeyHGAWAUGLCCQBAH-UHFFFAOYSA-N
MW507.69 g/mol
LogP4.92
Rot. Bonds9

About 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one (PubChem CID 2420603) has the molecular formula C26H29N5O2S2 and a molecular weight of 507.69 g/mol. Its IUPAC name is 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
PubChem CID2420603
Molecular FormulaC26H29N5O2S2
Molecular Weight507.69 g/mol
Exact Mass507.18
IUPAC Name2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
SMILESCc1ccc(Nc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)cs2)cc1
InChIInChI=1S/C26H29N5O2S2/c1-19-7-9-20(10-8-19)27-25-28-21(17-34-25)18-35-26-29-23-6-3-2-5-22(23)24(32)31(26)12-4-11-30-13-15-33-16-14-30/h2-3,5-10,17H,4,11-16,18H2,1H3,(H,27,28)
InChIKeyHGAWAUGLCCQBAH-UHFFFAOYSA-N
XLogP4.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.69
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one with MolForge

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Related Compounds

2-[2-(4-methylphenoxy)ethylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 4817925
methyl 2-[2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate
CID 24680740
2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 42989793
3-(3-morpholin-4-ylpropyl)-2-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 4963457
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2087616
3-ethyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 7907166
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 2089296
3-[(4-methylphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 2609185
2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 42902138
methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate
CID 22589605
N-(1,3-benzodioxol-5-yl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2125175
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The IUPAC name of 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one (CID 2420603) is 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The canonical SMILES for 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one is Cc1ccc(Nc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)cs2)cc1.
What is the InChIKey of 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The InChIKey is HGAWAUGLCCQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S2/c1-19-7-9-20(10-8-19)27-25-28-21(17-34-25)18-35-26-29-23-6-3-2-5-22(23)24(32)31(26)12-4-11-30-13-15-33-16-14-30/h2-3,5-10,17H,4,11-16,18H2,1H3,(H,27,28).
What are the key properties of 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one has a molecular weight of 507.69 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 2420603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).