(6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one

C16H17N3OS — CID 42536258

IUPAC(6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C=C(c2csc(C)n2)[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C16H17N3OS/c1-3-19-9-13(14-10-21-11(2)17-14)15(18-16(19)20)12-7-5-4-6-8-12/h4-10,15H,3H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyNFDVUUIMJUSTKA-HNNXBMFYSA-N
MW299.40 g/mol
LogP3.58
Rot. Bonds3

About (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one

(6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one (PubChem CID 42536258) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one
PubChem CID42536258
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C=C(c2csc(C)n2)[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C16H17N3OS/c1-3-19-9-13(14-10-21-11(2)17-14)15(18-16(19)20)12-7-5-4-6-8-12/h4-10,15H,3H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyNFDVUUIMJUSTKA-HNNXBMFYSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one (CID 42536258) is (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one is CCN1C=C(c2csc(C)n2)[C@H](c2ccccc2)NC1=O.
What is the InChIKey of (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one?
The InChIKey is NFDVUUIMJUSTKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-19-9-13(14-10-21-11(2)17-14)15(18-16(19)20)12-7-5-4-6-8-12/h4-10,15H,3H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one?
(6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one has a molecular weight of 299.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-6-phenyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 42536258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).