N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C21H16N4OS — CID 118335603

IUPACN-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cn(Cc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C21H16N4OS/c1-14-20(27-13-23-14)21(26)24-18-12-25(19-5-3-2-4-17(18)19)11-16-8-6-15(10-22)7-9-16/h2-9,12-13H,11H2,1H3,(H,24,26)
InChIKeyXBIXCIXRCISBJJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.58
Rot. Bonds4

About N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118335603) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID118335603
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cn(Cc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C21H16N4OS/c1-14-20(27-13-23-14)21(26)24-18-12-25(19-5-3-2-4-17(18)19)11-16-8-6-15(10-22)7-9-16/h2-9,12-13H,11H2,1H3,(H,24,26)
InChIKeyXBIXCIXRCISBJJ-UHFFFAOYSA-N
XLogP4.58
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335610
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463369
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47475999
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
4-[(3-propanoylindol-1-yl)methyl]benzonitrile
CID 955249
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 10222620
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-oxazol-5-yl)-2-oxoacetamide
CID 10915982
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
CID 23397135
4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 75493724
(Z)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 170910780

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 118335603) is N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cn(Cc2ccc(C#N)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XBIXCIXRCISBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c1-14-20(27-13-23-14)21(26)24-18-12-25(19-5-3-2-4-17(18)19)11-16-8-6-15(10-22)7-9-16/h2-9,12-13H,11H2,1H3,(H,24,26).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118335603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).