6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione

C12H14ClN3O2S — CID 113404202

IUPAC6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(C(CC)c2nccs2)c1=O
InChIInChI=1S/C12H14ClN3O2S/c1-3-7-9(13)15-12(18)16(11(7)17)8(4-2)10-14-5-6-19-10/h5-6,8H,3-4H2,1-2H3,(H,15,18)
InChIKeyPVGRBULODAWTIN-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.21
Rot. Bonds4

About 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione

6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 113404202) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
PubChem CID113404202
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(C(CC)c2nccs2)c1=O
InChIInChI=1S/C12H14ClN3O2S/c1-3-7-9(13)15-12(18)16(11(7)17)8(4-2)10-14-5-6-19-10/h5-6,8H,3-4H2,1-2H3,(H,15,18)
InChIKeyPVGRBULODAWTIN-UHFFFAOYSA-N
XLogP2.21
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione (CID 113404202) is 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione is CCc1c(Cl)[nH]c(=O)n(C(CC)c2nccs2)c1=O.
What is the InChIKey of 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PVGRBULODAWTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-3-7-9(13)15-12(18)16(11(7)17)8(4-2)10-14-5-6-19-10/h5-6,8H,3-4H2,1-2H3,(H,15,18).
What are the key properties of 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 299.78 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).