1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione

C11H13N3O2S — CID 138032414

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2ccc(=O)n(C)c2=O)cs1
InChIInChI=1S/C11H13N3O2S/c1-3-9-12-8(7-17-9)6-14-5-4-10(15)13(2)11(14)16/h4-5,7H,3,6H2,1-2H3
InChIKeyBEZJVDPRLXBXTP-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.61
Rot. Bonds3

About 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 138032414) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID138032414
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2ccc(=O)n(C)c2=O)cs1
InChIInChI=1S/C11H13N3O2S/c1-3-9-12-8(7-17-9)6-14-5-4-10(15)13(2)11(14)16/h4-5,7H,3,6H2,1-2H3
InChIKeyBEZJVDPRLXBXTP-UHFFFAOYSA-N
XLogP0.61
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-5-(4-methyl-2-thiazolyl)-2,4(1H,3H)-pyrimidinedione
CID 47002148
5-Acetyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
CID 71970540
1,5-Dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 122155057
1-[[4-[(Dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 138025460
1-[(2-Tert-butyl-1,3-thiazol-4-YL)methyl]-5-fluoropyridin-2-one
CID 99831544
6-chloro-5-fluoro-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371780
5-Fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 112599942
5-Fluoro-6-hydroxy-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 112599973
5-Fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112601014
6-chloro-5-fluoro-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404192
6-Amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 126837357
3-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 136569764

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione (CID 138032414) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione is CCc1nc(Cn2ccc(=O)n(C)c2=O)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is BEZJVDPRLXBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-9-12-8(7-17-9)6-14-5-4-10(15)13(2)11(14)16/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 138032414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).