N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide

C16H24N4O2S2 — CID 46209585

IUPACN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H24N4O2S2/c1-13(2)24(21,22)19-11-6-3-5-10-18-16-20-15(12-23-16)14-8-4-7-9-17-14/h4,7-9,12-13,19H,3,5-6,10-11H2,1-2H3,(H,18,20)
InChIKeyOFIGBSCNGNSCPM-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.12
Rot. Bonds10

About N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide

N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide (PubChem CID 46209585) has the molecular formula C16H24N4O2S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide
PubChem CID46209585
Molecular FormulaC16H24N4O2S2
Molecular Weight368.53 g/mol
Exact Mass368.13
IUPAC NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H24N4O2S2/c1-13(2)24(21,22)19-11-6-3-5-10-18-16-20-15(12-23-16)14-8-4-7-9-17-14/h4,7-9,12-13,19H,3,5-6,10-11H2,1-2H3,(H,18,20)
InChIKeyOFIGBSCNGNSCPM-UHFFFAOYSA-N
XLogP3.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide (CID 46209585) is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
The InChIKey is OFIGBSCNGNSCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S2/c1-13(2)24(21,22)19-11-6-3-5-10-18-16-20-15(12-23-16)14-8-4-7-9-17-14/h4,7-9,12-13,19H,3,5-6,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide has a molecular weight of 368.53 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 46209585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).