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

C20H19ClFN5O2S2 — CID 138701333

IUPACN-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ncc(-c2cncc(Cl)c2)cc1F)c1csc(NS(=O)C2CC2)n1
InChIInChI=1S/C20H19ClFN5O2S2/c1-20(2,16-10-30-19(25-16)27-31(29)14-3-4-14)18(28)26-17-15(22)6-12(8-24-17)11-5-13(21)9-23-7-11/h5-10,14H,3-4H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyLWPFRAKBBPUYAZ-UHFFFAOYSA-N
MW479.99 g/mol
LogP4.55
Rot. Bonds7

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

N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (PubChem CID 138701333) has the molecular formula C20H19ClFN5O2S2 and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
PubChem CID138701333
Molecular FormulaC20H19ClFN5O2S2
Molecular Weight479.99 g/mol
Exact Mass479.07
IUPAC NameN-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ncc(-c2cncc(Cl)c2)cc1F)c1csc(NS(=O)C2CC2)n1
InChIInChI=1S/C20H19ClFN5O2S2/c1-20(2,16-10-30-19(25-16)27-31(29)14-3-4-14)18(28)26-17-15(22)6-12(8-24-17)11-5-13(21)9-23-7-11/h5-10,14H,3-4H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyLWPFRAKBBPUYAZ-UHFFFAOYSA-N
XLogP4.55
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (CID 138701333) is N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ncc(-c2cncc(Cl)c2)cc1F)c1csc(NS(=O)C2CC2)n1.
What is the InChIKey of N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The InChIKey is LWPFRAKBBPUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O2S2/c1-20(2,16-10-30-19(25-16)27-31(29)14-3-4-14)18(28)26-17-15(22)6-12(8-24-17)11-5-13(21)9-23-7-11/h5-10,14H,3-4H2,1-2H3,(H,25,27)(H,24,26,28).
What are the key properties of N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide has a molecular weight of 479.99 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 138701333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).