6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione

C15H14FN5O2S — CID 9173952

IUPAC6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(Nc3ccc(F)cc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H14FN5O2S/c1-2-21-12(17)11(13(22)20-15(21)23)10-7-24-14(19-10)18-9-5-3-8(16)4-6-9/h3-7H,2,17H2,1H3,(H,18,19)(H,20,22,23)
InChIKeyUXVNNQRDMINTHK-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.14
Rot. Bonds4

About 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (PubChem CID 9173952) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
PubChem CID9173952
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(Nc3ccc(F)cc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H14FN5O2S/c1-2-21-12(17)11(13(22)20-15(21)23)10-7-24-14(19-10)18-9-5-3-8(16)4-6-9/h3-7H,2,17H2,1H3,(H,18,19)(H,20,22,23)
InChIKeyUXVNNQRDMINTHK-UHFFFAOYSA-N
XLogP2.14
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
CID 9421570
6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
CID 9419970
6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
CID 9232801
6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
CID 8560111
6-amino-1-ethyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
CID 9174146
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9173921
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (CID 9173952) is 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is CCn1c(N)c(-c2csc(Nc3ccc(F)cc3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The InChIKey is UXVNNQRDMINTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-2-21-12(17)11(13(22)20-15(21)23)10-7-24-14(19-10)18-9-5-3-8(16)4-6-9/h3-7H,2,17H2,1H3,(H,18,19)(H,20,22,23).
What are the key properties of 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 9173952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).