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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Related Compounds

2-Amino-5-thio-substituted thiazole 62
CID 5329698
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 45893736
3,3,3-Trifluoro-N-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]propanamide
CID 53482976
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide
CID 59580401
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide
CID 59580412
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
CID 59580433
[2-(5-Fluoropyridin-3-yl)-thiazol-5-yl]-1-methyl-3-(2-methylsulfanyl-ethyl)urea
CID 59580437
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide
CID 59580438
1-[4-Chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-(2-methylsulfanylethyl)thiourea
CID 59580440
N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
CID 59580442
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide
CID 59580453
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide
CID 59580458

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).