N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C20H24N4O2S2 — CID 139230210

IUPACN-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NN=C3C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C20H24N4O2S2/c1-28(25,26)24-17-4-2-14(3-5-17)18-11-27-20(21-18)23-22-19-15-7-12-6-13(9-15)10-16(19)8-12/h2-5,11-13,15-16,24H,6-10H2,1H3,(H,21,23)/b22-19-
InChIKeyNIOYJIURBHFDPE-QOCHGBHMSA-N
MW416.57 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 139230210) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID139230210
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC NameN-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NN=C3C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C20H24N4O2S2/c1-28(25,26)24-17-4-2-14(3-5-17)18-11-27-20(21-18)23-22-19-15-7-12-6-13(9-15)10-16(19)8-12/h2-5,11-13,15-16,24H,6-10H2,1H3,(H,21,23)/b22-19-
InChIKeyNIOYJIURBHFDPE-QOCHGBHMSA-N
XLogP4.41
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-adamantylideneamino)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 171114693
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-[4-[2-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166410275
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 154845848
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166180802
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 18127329
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119694456
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340287

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 139230210) is N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2csc(NN=C3C4CC5CC(C4)CC3C5)n2)cc1.
What is the InChIKey of N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is NIOYJIURBHFDPE-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-28(25,26)24-17-4-2-14(3-5-17)18-11-27-20(21-18)23-22-19-15-7-12-6-13(9-15)10-16(19)8-12/h2-5,11-13,15-16,24H,6-10H2,1H3,(H,21,23)/b22-19-.
What are the key properties of N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 416.57 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-adamantylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 139230210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).