N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide

C17H17ClN4O2S2 — CID 166184350

IUPACN-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H17ClN4O2S2/c1-3-22(26(2,23)24)14-7-4-12(5-8-14)15-11-25-17(21-15)20-13-6-9-16(18)19-10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyUPNNJVBTVOECQV-UHFFFAOYSA-N
MW408.94 g/mol
LogP4.39
Rot. Bonds6

About N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide

N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide (PubChem CID 166184350) has the molecular formula C17H17ClN4O2S2 and a molecular weight of 408.94 g/mol. Its IUPAC name is N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
PubChem CID166184350
Molecular FormulaC17H17ClN4O2S2
Molecular Weight408.94 g/mol
Exact Mass408.05
IUPAC NameN-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H17ClN4O2S2/c1-3-22(26(2,23)24)14-7-4-12(5-8-14)15-11-25-17(21-15)20-13-6-9-16(18)19-10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyUPNNJVBTVOECQV-UHFFFAOYSA-N
XLogP4.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.94
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 166340336
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 9173901
N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 167841857
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167885654
N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 8891148
N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 47027508
1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58910581

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide (CID 166184350) is N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide is CCN(c1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The InChIKey is UPNNJVBTVOECQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S2/c1-3-22(26(2,23)24)14-7-4-12(5-8-14)15-11-25-17(21-15)20-13-6-9-16(18)19-10-13/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide has a molecular weight of 408.94 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 166184350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).