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

C13H13ClFN3O3S2 — CID 59580718

IUPACN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide
SMILESCN(C(=O)CCS(C)(=O)=O)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C13H13ClFN3O3S2/c1-18(10(19)3-4-23(2,20)21)13-11(14)17-12(22-13)8-5-9(15)7-16-6-8/h5-7H,3-4H2,1-2H3
InChIKeyBPYOWFTWJAFTML-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.40
Rot. Bonds5

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

N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide (PubChem CID 59580718) has the molecular formula C13H13ClFN3O3S2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide
PubChem CID59580718
Molecular FormulaC13H13ClFN3O3S2
Molecular Weight377.85 g/mol
Exact Mass377.01
IUPAC NameN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide
SMILESCN(C(=O)CCS(C)(=O)=O)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C13H13ClFN3O3S2/c1-18(10(19)3-4-23(2,20)21)13-11(14)17-12(22-13)8-5-9(15)7-16-6-8/h5-7H,3-4H2,1-2H3
InChIKeyBPYOWFTWJAFTML-UHFFFAOYSA-N
XLogP2.40
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 59580761
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-sulfanylpropanamide
CID 126635494
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide
CID 59580438
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
CID 59580759
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
propan-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-iodo-1,3-thiazol-5-yl]-N-methylcarbamate
CID 118944690
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
6-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-5-ethyl-2-methylheptan-3-one
CID 90704450
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
CID 59580925
[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-(N-methylanilino)methanethiol
CID 123156859
N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 70833266

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide?
The IUPAC name of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide (CID 59580718) is N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide is CN(C(=O)CCS(C)(=O)=O)c1sc(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide?
The InChIKey is BPYOWFTWJAFTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3S2/c1-18(10(19)3-4-23(2,20)21)13-11(14)17-12(22-13)8-5-9(15)7-16-6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide?
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide has a molecular weight of 377.85 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 59580718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).