N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C19H22N4OS — CID 131914265

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCSc1ncc(CNC(=O)C2CCCc3c2[nH]c2ccccc32)n1C
InChIInChI=1S/C19H22N4OS/c1-23-12(11-21-19(23)25-2)10-20-18(24)15-8-5-7-14-13-6-3-4-9-16(13)22-17(14)15/h3-4,6,9,11,15,22H,5,7-8,10H2,1-2H3,(H,20,24)
InChIKeyYPNNKTKTCAJJKA-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.36
Rot. Bonds4

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 131914265) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID131914265
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCSc1ncc(CNC(=O)C2CCCc3c2[nH]c2ccccc32)n1C
InChIInChI=1S/C19H22N4OS/c1-23-12(11-21-19(23)25-2)10-20-18(24)15-8-5-7-14-13-6-3-4-9-16(13)22-17(14)15/h3-4,6,9,11,15,22H,5,7-8,10H2,1-2H3,(H,20,24)
InChIKeyYPNNKTKTCAJJKA-UHFFFAOYSA-N
XLogP3.36
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide 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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131911526
(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 92881244
1-[4-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]piperazin-1-yl]ethanone
CID 29258867
N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 126426514
6-methyl-N-(2-pyrazol-1-ylethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 86283965
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154910390
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 154569334
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 46381968
(3S)-1-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-3-carboxamide
CID 97202862
N-benzyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 151401798
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
morpholin-4-yl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 131916432

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 131914265) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is CSc1ncc(CNC(=O)C2CCCc3c2[nH]c2ccccc32)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is YPNNKTKTCAJJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-23-12(11-21-19(23)25-2)10-20-18(24)15-8-5-7-14-13-6-3-4-9-16(13)22-17(14)15/h3-4,6,9,11,15,22H,5,7-8,10H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 131914265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).