N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide

C17H20FN3O2S3 — CID 59580477

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide
SMILESCSCCC(=O)N(C(=O)CCSC)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C17H20FN3O2S3/c1-11-17(26-16(20-11)12-8-13(18)10-19-9-12)21(14(22)4-6-24-2)15(23)5-7-25-3/h8-10H,4-7H2,1-3H3
InChIKeyUZLNZBGPUFAXMK-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.02
Rot. Bonds8

About N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide (PubChem CID 59580477) has the molecular formula C17H20FN3O2S3 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide
PubChem CID59580477
Molecular FormulaC17H20FN3O2S3
Molecular Weight413.57 g/mol
Exact Mass413.07
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide
SMILESCSCCC(=O)N(C(=O)CCSC)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C17H20FN3O2S3/c1-11-17(26-16(20-11)12-8-13(18)10-19-9-12)21(14(22)4-6-24-2)15(23)5-7-25-3/h8-10H,4-7H2,1-3H3
InChIKeyUZLNZBGPUFAXMK-UHFFFAOYSA-N
XLogP4.02
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide (CID 59580477) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide is CSCCC(=O)N(C(=O)CCSC)c1sc(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide?
The InChIKey is UZLNZBGPUFAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S3/c1-11-17(26-16(20-11)12-8-13(18)10-19-9-12)21(14(22)4-6-24-2)15(23)5-7-25-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide has a molecular weight of 413.57 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)propanamide is sourced from PubChem (CID 59580477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).