N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C19H21N3O2S2 — CID 17426428

IUPACN-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCc1sc(NC(C)c2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H21N3O2S2/c1-13(15-7-5-4-6-8-15)20-19-21-18(14(2)25-19)16-9-11-17(12-10-16)22-26(3,23)24/h4-13,22H,1-3H3,(H,20,21)
InChIKeyYIDLCTZFRHNXMJ-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.66
Rot. Bonds6

About N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 17426428) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID17426428
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCc1sc(NC(C)c2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H21N3O2S2/c1-13(15-7-5-4-6-8-15)20-19-21-18(14(2)25-19)16-9-11-17(12-10-16)22-26(3,23)24/h4-13,22H,1-3H3,(H,20,21)
InChIKeyYIDLCTZFRHNXMJ-UHFFFAOYSA-N
XLogP4.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 39373637
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 76870485
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide
CID 90124221
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21171263
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696708
N-[4-[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 39750069
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
CID 112982256
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 17426428) is N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is Cc1sc(NC(C)c2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is YIDLCTZFRHNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-13(15-7-5-4-6-8-15)20-19-21-18(14(2)25-19)16-9-11-17(12-10-16)22-26(3,23)24/h4-13,22H,1-3H3,(H,20,21).
What are the key properties of N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 17426428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).