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

C13H14FN3OS2 — CID 126635044

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS
InChIInChI=1S/C13H14FN3OS2/c1-7(6-19)11(18)17-12-8(2)16-13(20-12)9-3-10(14)5-15-4-9/h3-5,7,19H,6H2,1-2H3,(H,17,18)
InChIKeyRDYGCBOFDMXDDI-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.16
Rot. Bonds4

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

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide (PubChem CID 126635044) has the molecular formula C13H14FN3OS2 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide
PubChem CID126635044
Molecular FormulaC13H14FN3OS2
Molecular Weight311.41 g/mol
Exact Mass311.06
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS
InChIInChI=1S/C13H14FN3OS2/c1-7(6-19)11(18)17-12-8(2)16-13(20-12)9-3-10(14)5-15-4-9/h3-5,7,19H,6H2,1-2H3,(H,17,18)
InChIKeyRDYGCBOFDMXDDI-UHFFFAOYSA-N
XLogP3.16
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
CID 59580925
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-sulfanylpropanamide
CID 126635494
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 59580713
2-chloroethyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 118978089
N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 70833266
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 70833336
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide
CID 118024063
N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide
CID 59580462
1-[(E)-1-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-3-methylurea
CID 172935807
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
6-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-5-ethyl-2-methylheptan-3-one
CID 90704450

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide (CID 126635044) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide is Cc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide?
The InChIKey is RDYGCBOFDMXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS2/c1-7(6-19)11(18)17-12-8(2)16-13(20-12)9-3-10(14)5-15-4-9/h3-5,7,19H,6H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-2-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 126635044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).