N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide

C12H13FN4OS2 — CID 70833266

IUPACN-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cncc(F)c2)nc1N
InChIInChI=1S/C12H13FN4OS2/c1-19-3-2-9(18)16-12-10(14)17-11(20-12)7-4-8(13)6-15-5-7/h4-6H,2-3,14H2,1H3,(H,16,18)
InChIKeyGHNZRCNNBDUSIB-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.62
Rot. Bonds5

About N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide

N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide (PubChem CID 70833266) has the molecular formula C12H13FN4OS2 and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
PubChem CID70833266
Molecular FormulaC12H13FN4OS2
Molecular Weight312.39 g/mol
Exact Mass312.05
IUPAC NameN-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cncc(F)c2)nc1N
InChIInChI=1S/C12H13FN4OS2/c1-19-3-2-9(18)16-12-10(14)17-11(20-12)7-4-8(13)6-15-5-7/h4-6H,2-3,14H2,1H3,(H,16,18)
InChIKeyGHNZRCNNBDUSIB-UHFFFAOYSA-N
XLogP2.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide (CID 70833266) is N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1sc(-c2cncc(F)c2)nc1N.
What is the InChIKey of N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The InChIKey is GHNZRCNNBDUSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS2/c1-19-3-2-9(18)16-12-10(14)17-11(20-12)7-4-8(13)6-15-5-7/h4-6H,2-3,14H2,1H3,(H,16,18).
What are the key properties of N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide has a molecular weight of 312.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 70833266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).