1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

C24H22N4O2S — CID 654999

IUPAC1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
SMILESC=CCn1c(SCC(O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccco1
InChIInChI=1S/C24H22N4O2S/c1-2-13-27-23(22-12-7-14-30-22)25-26-24(27)31-16-17(29)15-28-20-10-5-3-8-18(20)19-9-4-6-11-21(19)28/h2-12,14,17,29H,1,13,15-16H2
InChIKeyWRIXKIOESWXNQA-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.99
Rot. Bonds8

About 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (PubChem CID 654999) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
PubChem CID654999
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
SMILESC=CCn1c(SCC(O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccco1
InChIInChI=1S/C24H22N4O2S/c1-2-13-27-23(22-12-7-14-30-22)25-26-24(27)31-16-17(29)15-28-20-10-5-3-8-18(20)19-9-4-6-11-21(19)28/h2-12,14,17,29H,1,13,15-16H2
InChIKeyWRIXKIOESWXNQA-UHFFFAOYSA-N
XLogP4.99
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(9-Ethyl-9H-carbazol-3-YL)-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 1890961
4-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-pyridine
CID 647418
2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-furylmethyl)acetamide
CID 1094854
3-(Furan-2-yl)-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 8033802
1-(2,3-Dihydro-indol-1-yl)-2-(4-furan-2-ylmethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 650725
2-[5-[(4-Tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
CID 2482316
1-(2,3-Dimethyl-indol-1-yl)-2-[4-(3-methoxy-propyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 654043
2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
CID 662141
1-(biphenyl-4-yl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CID 662563
2-(5-(2-furyl)-4-methyl(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide
CID 662709
2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 664890
2-({[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
CID 664941

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (CID 654999) is 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol is C=CCn1c(SCC(O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccco1.
What is the InChIKey of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
The InChIKey is WRIXKIOESWXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-2-13-27-23(22-12-7-14-30-22)25-26-24(27)31-16-17(29)15-28-20-10-5-3-8-18(20)19-9-4-6-11-21(19)28/h2-12,14,17,29H,1,13,15-16H2.
What are the key properties of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol has a molecular weight of 430.53 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 654999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).