N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C19H15F2N3O3S2 — CID 54670690

IUPACN-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1
InChIInChI=1S/C19H15F2N3O3S2/c20-13-4-3-5-14(21)12(13)10-29(26,27)18-16(11-7-8-11)23-19(28-18)24-17(25)15-6-1-2-9-22-15/h1-6,9,11H,7-8,10H2,(H,23,24,25)
InChIKeyBYZFQQWIQZDOBE-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.92
Rot. Bonds6

About N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 54670690) has the molecular formula C19H15F2N3O3S2 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID54670690
Molecular FormulaC19H15F2N3O3S2
Molecular Weight435.48 g/mol
Exact Mass435.05
IUPAC NameN-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1
InChIInChI=1S/C19H15F2N3O3S2/c20-13-4-3-5-14(21)12(13)10-29(26,27)18-16(11-7-8-11)23-19(28-18)24-17(25)15-6-1-2-9-22-15/h1-6,9,11H,7-8,10H2,(H,23,24,25)
InChIKeyBYZFQQWIQZDOBE-UHFFFAOYSA-N
XLogP3.92
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 54670690) is N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.
What is the InChIKey of N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is BYZFQQWIQZDOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S2/c20-13-4-3-5-14(21)12(13)10-29(26,27)18-16(11-7-8-11)23-19(28-18)24-17(25)15-6-1-2-9-22-15/h1-6,9,11H,7-8,10H2,(H,23,24,25).
What are the key properties of N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54670690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).