N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide

C18H25FN4O2S2 — CID 24888710

IUPACN-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2nc(-c3cccc(F)n3)cs2)CC1
InChIInChI=1S/C18H25FN4O2S2/c1-12(2)27(24,25)23-14-8-6-13(7-9-14)10-20-18-22-16(11-26-18)15-4-3-5-17(19)21-15/h3-5,11-14,23H,6-10H2,1-2H3,(H,20,22)
InChIKeyRVPGHMNZQOVOCR-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.64
Rot. Bonds7

About N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 24888710) has the molecular formula C18H25FN4O2S2 and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID24888710
Molecular FormulaC18H25FN4O2S2
Molecular Weight412.56 g/mol
Exact Mass412.14
IUPAC NameN-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2nc(-c3cccc(F)n3)cs2)CC1
InChIInChI=1S/C18H25FN4O2S2/c1-12(2)27(24,25)23-14-8-6-13(7-9-14)10-20-18-22-16(11-26-18)15-4-3-5-17(19)21-15/h3-5,11-14,23H,6-10H2,1-2H3,(H,20,22)
InChIKeyRVPGHMNZQOVOCR-UHFFFAOYSA-N
XLogP3.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide (CID 24888710) is N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2nc(-c3cccc(F)n3)cs2)CC1.
What is the InChIKey of N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is RVPGHMNZQOVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2S2/c1-12(2)27(24,25)23-14-8-6-13(7-9-14)10-20-18-22-16(11-26-18)15-4-3-5-17(19)21-15/h3-5,11-14,23H,6-10H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 24888710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).