N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C19H21N3O2S2 — CID 166340287

IUPACN-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCC(C)c1cccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1
InChIInChI=1S/C19H21N3O2S2/c1-13(2)15-5-4-6-17(11-15)20-19-21-18(12-25-19)14-7-9-16(10-8-14)22-26(3,23)24/h4-13,22H,1-3H3,(H,20,21)
InChIKeyABHRIHDKCLEZPY-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.05
Rot. Bonds6

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

N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 166340287) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID166340287
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCC(C)c1cccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1
InChIInChI=1S/C19H21N3O2S2/c1-13(2)15-5-4-6-17(11-15)20-19-21-18(12-25-19)14-7-9-16(10-8-14)22-26(3,23)24/h4-13,22H,1-3H3,(H,20,21)
InChIKeyABHRIHDKCLEZPY-UHFFFAOYSA-N
XLogP5.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659
N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166180802
N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 24505641
N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340281
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
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
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 166340287) is N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CC(C)c1cccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1.
What is the InChIKey of N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is ABHRIHDKCLEZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-13(2)15-5-4-6-17(11-15)20-19-21-18(12-25-19)14-7-9-16(10-8-14)22-26(3,23)24/h4-13,22H,1-3H3,(H,20,21).
What are the key properties of N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 166340287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).