(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C16H16N4O3S — CID 27923645

IUPAC(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C16H16N4O3S/c1-10-9-24-16(22)20(10)7-6-14(21)23-8-13-18-12-5-3-2-4-11(12)15(17)19-13/h2-5,9H,6-8H2,1H3,(H2,17,18,19)
InChIKeyPTOFTSZWEOMYAU-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.88
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 27923645) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID27923645
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1nc(N)c2ccccc2n1
InChIInChI=1S/C16H16N4O3S/c1-10-9-24-16(22)20(10)7-6-14(21)23-8-13-18-12-5-3-2-4-11(12)15(17)19-13/h2-5,9H,6-8H2,1H3,(H2,17,18,19)
InChIKeyPTOFTSZWEOMYAU-UHFFFAOYSA-N
XLogP1.88
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55453723
(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27751738
(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
CID 27914976
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27547861
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 27908531
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9440946
[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 86863216
(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 27908304
(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
CID 27911356
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55386363
(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
CID 9451851

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 27923645) is (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCc1nc(N)c2ccccc2n1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is PTOFTSZWEOMYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-9-24-16(22)20(10)7-6-14(21)23-8-13-18-12-5-3-2-4-11(12)15(17)19-13/h2-5,9H,6-8H2,1H3,(H2,17,18,19).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 344.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 27923645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).