2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C23H20N4OS2 — CID 1435103

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CSc1nc(C2CC2)nc2ccccc12)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H20N4OS2/c1-27(23-25-19(13-30-23)15-7-3-2-4-8-15)20(28)14-29-22-17-9-5-6-10-18(17)24-21(26-22)16-11-12-16/h2-10,13,16H,11-12,14H2,1H3
InChIKeyCSOKDSKQXUGLQF-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.39
Rot. Bonds6

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1435103) has the molecular formula C23H20N4OS2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1435103
Molecular FormulaC23H20N4OS2
Molecular Weight432.57 g/mol
Exact Mass432.11
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CSc1nc(C2CC2)nc2ccccc12)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H20N4OS2/c1-27(23-25-19(13-30-23)15-7-3-2-4-8-15)20(28)14-29-22-17-9-5-6-10-18(17)24-21(26-22)16-11-12-16/h2-10,13,16H,11-12,14H2,1H3
InChIKeyCSOKDSKQXUGLQF-UHFFFAOYSA-N
XLogP5.39
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1435103) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CN(C(=O)CSc1nc(C2CC2)nc2ccccc12)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CSOKDSKQXUGLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS2/c1-27(23-25-19(13-30-23)15-7-3-2-4-8-15)20(28)14-29-22-17-9-5-6-10-18(17)24-21(26-22)16-11-12-16/h2-10,13,16H,11-12,14H2,1H3.
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 432.57 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1435103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).