4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one

C11H12FN3OS — CID 137449463

IUPAC4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(C)Nc1c(F)ccn(-c2nccs2)c1=O
InChIInChI=1S/C11H12FN3OS/c1-7(2)14-9-8(12)3-5-15(10(9)16)11-13-4-6-17-11/h3-7,14H,1-2H3
InChIKeyDOTRCSFSURDBES-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.25
Rot. Bonds3

About 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one

4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 137449463) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
PubChem CID137449463
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(C)Nc1c(F)ccn(-c2nccs2)c1=O
InChIInChI=1S/C11H12FN3OS/c1-7(2)14-9-8(12)3-5-15(10(9)16)11-13-4-6-17-11/h3-7,14H,1-2H3
InChIKeyDOTRCSFSURDBES-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2E,4E)-N-(1,3-thiazol-2-yl)hexa-2,4-dienamide
CID 5750932
N-(propan-2-yl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 1841217
2-(6-oxo-4-propylpyrimidin-1(6H)-yl)-N-(thiazol-2-yl)acetamide
CID 45535048
3-Amino-4-fluoro-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 137449785
3-(Ethylamino)-4-fluoro-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 137457482
N-Methyl-N'-(thiazol-2-yl)-2-butenediamide
CID 6366799
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 25947166
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678
2-(5-fluoro-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)acetamide
CID 84314110
N-(prop-2-en-1-yl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 1622052
N-(1,3-thiazol-2-yl)hexa-2,4-dienamide
CID 3095736
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 9514739

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one (CID 137449463) is 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one is CC(C)Nc1c(F)ccn(-c2nccs2)c1=O.
What is the InChIKey of 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is DOTRCSFSURDBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-7(2)14-9-8(12)3-5-15(10(9)16)11-13-4-6-17-11/h3-7,14H,1-2H3.
What are the key properties of 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one has a molecular weight of 253.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 137449463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).