N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide

C14H19N3O2S2 — CID 110317579

IUPACN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-2-3-10-21(18,19)16-9-7-14-17-13(11-20-14)12-6-4-5-8-15-12/h4-6,8,11,16H,2-3,7,9-10H2,1H3
InChIKeySPTVQSRXLJNIQE-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.47
Rot. Bonds8

About N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide (PubChem CID 110317579) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
PubChem CID110317579
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-2-3-10-21(18,19)16-9-7-14-17-13(11-20-14)12-6-4-5-8-15-12/h4-6,8,11,16H,2-3,7,9-10H2,1H3
InChIKeySPTVQSRXLJNIQE-UHFFFAOYSA-N
XLogP2.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202342
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299
Thiophene-2-sulfonic acid pyridin-3-ylamide
CID 651720
1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
CID 20647087
2-[5-(Diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole
CID 20647089
4-Pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole
CID 20647090
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide
CID 20647122
(4-Methyl-2-pyrid-4-yl-1,3-thiazol-5-yl)methylamine
CID 24229587
N2-(3-pyridylmethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795737

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide (CID 110317579) is N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide?
The InChIKey is SPTVQSRXLJNIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-2-3-10-21(18,19)16-9-7-14-17-13(11-20-14)12-6-4-5-8-15-12/h4-6,8,11,16H,2-3,7,9-10H2,1H3.
What are the key properties of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide?
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110317579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).