4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

C10H12FN5OS — CID 106384148

IUPAC4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNc1ncc(F)c(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C10H12FN5OS/c1-2-12-9-14-4-7(11)8(16-9)13-3-6-5-18-10(17)15-6/h4-5H,2-3H2,1H3,(H,15,17)(H2,12,13,14,16)
InChIKeyYGZCRPMOGAIADG-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.41
Rot. Bonds5

About 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384148) has the molecular formula C10H12FN5OS and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384148
Molecular FormulaC10H12FN5OS
Molecular Weight269.30 g/mol
Exact Mass269.07
IUPAC Name4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNc1ncc(F)c(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C10H12FN5OS/c1-2-12-9-14-4-7(11)8(16-9)13-3-6-5-18-10(17)15-6/h4-5H,2-3H2,1H3,(H,15,17)(H2,12,13,14,16)
InChIKeyYGZCRPMOGAIADG-UHFFFAOYSA-N
XLogP1.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181858
4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 106383322
2-N-ethyl-5-fluoro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
CID 80817939
2-N-ethyl-4-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 106015477
4-N-[(2-bromophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80794799
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
4-N-[(2,5-difluorophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80846346
4-[[(6-chloro-5-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181739
2-N-ethyl-5-fluoro-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829928
2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81174335

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384148) is 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is CCNc1ncc(F)c(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YGZCRPMOGAIADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5OS/c1-2-12-9-14-4-7(11)8(16-9)13-3-6-5-18-10(17)15-6/h4-5H,2-3H2,1H3,(H,15,17)(H2,12,13,14,16).
What are the key properties of 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).