N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide

C21H18N4O3S2 — CID 55514296

IUPACN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCn1ccnc1-c1sc(NC(=O)c2ccccc2S(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C21H18N4O3S2/c1-25-13-12-22-19(25)18-17(14-8-4-3-5-9-14)23-21(29-18)24-20(26)15-10-6-7-11-16(15)30(2,27)28/h3-13H,1-2H3,(H,23,24,26)
InChIKeyBUCIMPHIJUAWJB-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.87
Rot. Bonds5

About N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (PubChem CID 55514296) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
PubChem CID55514296
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCn1ccnc1-c1sc(NC(=O)c2ccccc2S(C)(=O)=O)nc1-c1ccccc1
InChIInChI=1S/C21H18N4O3S2/c1-25-13-12-22-19(25)18-17(14-8-4-3-5-9-14)23-21(29-18)24-20(26)15-10-6-7-11-16(15)30(2,27)28/h3-13H,1-2H3,(H,23,24,26)
InChIKeyBUCIMPHIJUAWJB-UHFFFAOYSA-N
XLogP3.87
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
2-(2-methoxyethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 56555673
2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 55514567
2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55515066
2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24621136
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 55938803
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75470240
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55550118
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 55516485
3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 55608043
N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55545312
1-(4-bromophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55520947

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (CID 55514296) is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is Cn1ccnc1-c1sc(NC(=O)c2ccccc2S(C)(=O)=O)nc1-c1ccccc1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The InChIKey is BUCIMPHIJUAWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-25-13-12-22-19(25)18-17(14-8-4-3-5-9-14)23-21(29-18)24-20(26)15-10-6-7-11-16(15)30(2,27)28/h3-13H,1-2H3,(H,23,24,26).
What are the key properties of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 55514296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).