1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea

C24H29N3S — CID 4220236

IUPAC1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
SMILESCCc1cccc(CC)c1NC(=S)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C24H29N3S/c1-3-17-8-7-9-18(4-2)23(17)27-24(28)25-15-16-12-13-22-20(14-16)19-10-5-6-11-21(19)26-22/h7-9,12-14,26H,3-6,10-11,15H2,1-2H3,(H2,25,27,28)
InChIKeyKEDZWPUQYNUAIV-UHFFFAOYSA-N
MW391.58 g/mol
LogP5.66
Rot. Bonds5

About 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea

1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea (PubChem CID 4220236) has the molecular formula C24H29N3S and a molecular weight of 391.58 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
PubChem CID4220236
Molecular FormulaC24H29N3S
Molecular Weight391.58 g/mol
Exact Mass391.21
IUPAC Name1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
SMILESCCc1cccc(CC)c1NC(=S)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C24H29N3S/c1-3-17-8-7-9-18(4-2)23(17)27-24(28)25-15-16-12-13-22-20(14-16)19-10-5-6-11-21(19)26-22/h7-9,12-14,26H,3-6,10-11,15H2,1-2H3,(H2,25,27,28)
InChIKeyKEDZWPUQYNUAIV-UHFFFAOYSA-N
XLogP5.66
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 5082908
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
1-(2-ethyl-6-methylphenyl)-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea
CID 4292478
1-(2,6-diethylphenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17263012
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 8990549
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
1-methyl-6-oxo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyridazine-3-carboxamide
CID 56875329
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea (CID 4220236) is 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea is CCc1cccc(CC)c1NC(=S)NCc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea?
The InChIKey is KEDZWPUQYNUAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3S/c1-3-17-8-7-9-18(4-2)23(17)27-24(28)25-15-16-12-13-22-20(14-16)19-10-5-6-11-21(19)26-22/h7-9,12-14,26H,3-6,10-11,15H2,1-2H3,(H2,25,27,28).
What are the key properties of 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea?
1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea has a molecular weight of 391.58 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea is sourced from PubChem (CID 4220236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).