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

C14H15ClFN3O3S2 — CID 59580761

IUPACN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide
SMILESCC(CS(C)(=O)=O)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C14H15ClFN3O3S2/c1-8(7-24(3,21)22)13(20)19(2)14-11(15)18-12(23-14)9-4-10(16)6-17-5-9/h4-6,8H,7H2,1-3H3
InChIKeyXNTXILKNVOPQBT-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.64
Rot. Bonds5

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

N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide (PubChem CID 59580761) has the molecular formula C14H15ClFN3O3S2 and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide
PubChem CID59580761
Molecular FormulaC14H15ClFN3O3S2
Molecular Weight391.88 g/mol
Exact Mass391.02
IUPAC NameN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide
SMILESCC(CS(C)(=O)=O)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C14H15ClFN3O3S2/c1-8(7-24(3,21)22)13(20)19(2)14-11(15)18-12(23-14)9-4-10(16)6-17-5-9/h4-6,8H,7H2,1-3H3
InChIKeyXNTXILKNVOPQBT-UHFFFAOYSA-N
XLogP2.64
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide?
The IUPAC name of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide (CID 59580761) is N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide is CC(CS(C)(=O)=O)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide?
The InChIKey is XNTXILKNVOPQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3S2/c1-8(7-24(3,21)22)13(20)19(2)14-11(15)18-12(23-14)9-4-10(16)6-17-5-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide?
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide has a molecular weight of 391.88 g/mol, XLogP of 2.64, 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,2-dimethyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 59580761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).