N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C18H21N3O2S2 — CID 16868688

IUPACN-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCSc1ccccc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C18H21N3O2S2/c1-11(2)14-9-17(23)21-12(10-25-18(21)20-14)8-16(22)19-13-6-4-5-7-15(13)24-3/h4-7,9,11-12H,8,10H2,1-3H3,(H,19,22)
InChIKeyZSISXJXMVZNRER-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.76
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868688) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868688
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCSc1ccccc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C18H21N3O2S2/c1-11(2)14-9-17(23)21-12(10-25-18(21)20-14)8-16(22)19-13-6-4-5-7-15(13)24-3/h4-7,9,11-12H,8,10H2,1-3H3,(H,19,22)
InChIKeyZSISXJXMVZNRER-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868688) is N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CSc1ccccc1NC(=O)CC1CSc2nc(C(C)C)cc(=O)n21.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is ZSISXJXMVZNRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-11(2)14-9-17(23)21-12(10-25-18(21)20-14)8-16(22)19-13-6-4-5-7-15(13)24-3/h4-7,9,11-12H,8,10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).