N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide

C18H17FN4O3S2 — CID 57379022

IUPACN-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C18H17FN4O3S2/c1-18(2,3)28(25,26)23-16(24)14-6-4-5-13(22-14)15-10-21-17(27-15)11-7-12(19)9-20-8-11/h4-10H,1-3H3,(H,23,24)
InChIKeyXKSSWNFXRJNVMI-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.26
Rot. Bonds4

About N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide

N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide (PubChem CID 57379022) has the molecular formula C18H17FN4O3S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide
PubChem CID57379022
Molecular FormulaC18H17FN4O3S2
Molecular Weight420.49 g/mol
Exact Mass420.07
IUPAC NameN-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C18H17FN4O3S2/c1-18(2,3)28(25,26)23-16(24)14-6-4-5-13(22-14)15-10-21-17(27-15)11-7-12(19)9-20-8-11/h4-10H,1-3H3,(H,23,24)
InChIKeyXKSSWNFXRJNVMI-UHFFFAOYSA-N
XLogP3.26
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide (CID 57379022) is N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1.
What is the InChIKey of N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide?
The InChIKey is XKSSWNFXRJNVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S2/c1-18(2,3)28(25,26)23-16(24)14-6-4-5-13(22-14)15-10-21-17(27-15)11-7-12(19)9-20-8-11/h4-10H,1-3H3,(H,23,24).
What are the key properties of N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide?
N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 57379022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).