3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione

C14H16F3N3O2S — CID 136569764

IUPAC3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCc1nc(Cn2c(=O)c(C(F)(F)F)cn(C(C)C)c2=O)cs1
InChIInChI=1S/C14H16F3N3O2S/c1-4-11-18-9(7-23-11)5-20-12(21)10(14(15,16)17)6-19(8(2)3)13(20)22/h6-8H,4-5H2,1-3H3
InChIKeyMSAWHGGHEXFQSJ-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.68
Rot. Bonds4

About 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione

3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 136569764) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID136569764
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCc1nc(Cn2c(=O)c(C(F)(F)F)cn(C(C)C)c2=O)cs1
InChIInChI=1S/C14H16F3N3O2S/c1-4-11-18-9(7-23-11)5-20-12(21)10(14(15,16)17)6-19(8(2)3)13(20)22/h6-8H,4-5H2,1-3H3
InChIKeyMSAWHGGHEXFQSJ-UHFFFAOYSA-N
XLogP2.68
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.68
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
1-[(2-Propyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 40034650
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-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
CID 138032414
1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 47023830
1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 47031319
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-[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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 136569764) is 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione is CCc1nc(Cn2c(=O)c(C(F)(F)F)cn(C(C)C)c2=O)cs1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is MSAWHGGHEXFQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-4-11-18-9(7-23-11)5-20-12(21)10(14(15,16)17)6-19(8(2)3)13(20)22/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 347.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 136569764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).