3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

C22H17N5OS — CID 86967511

IUPAC3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cccc(-n3ccnc3)c2)n1
InChIInChI=1S/C22H17N5OS/c1-14-20(17-7-2-3-8-18(17)24-14)19-12-29-22(25-19)26-21(28)15-5-4-6-16(11-15)27-10-9-23-13-27/h2-13,24H,1H3,(H,25,26,28)
InChIKeyBGQPNEFCRTYUNO-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.04
Rot. Bonds4

About 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 86967511) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID86967511
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC Name3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cccc(-n3ccnc3)c2)n1
InChIInChI=1S/C22H17N5OS/c1-14-20(17-7-2-3-8-18(17)24-14)19-12-29-22(25-19)26-21(28)15-5-4-6-16(11-15)27-10-9-23-13-27/h2-13,24H,1H3,(H,25,26,28)
InChIKeyBGQPNEFCRTYUNO-UHFFFAOYSA-N
XLogP5.04
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608215
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26177070
3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46970234
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 24568913
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
2,6-difluoro-N-[(2S)-3-methyl-1-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 24568899
2-(1-benzofuran-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 166057991
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 146052089
2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 86935773
4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 139635569
1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26177013

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide (CID 86967511) is 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cccc(-n3ccnc3)c2)n1.
What is the InChIKey of 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is BGQPNEFCRTYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS/c1-14-20(17-7-2-3-8-18(17)24-14)19-12-29-22(25-19)26-21(28)15-5-4-6-16(11-15)27-10-9-23-13-27/h2-13,24H,1H3,(H,25,26,28).
What are the key properties of 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 86967511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).