[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate

C17H15N3OS — CID 74655425

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
SMILESCCn1c2ccccc2c2cc(NC(=O)CSC#N)ccc21
InChIInChI=1S/C17H15N3OS/c1-2-20-15-6-4-3-5-13(15)14-9-12(7-8-16(14)20)19-17(21)10-22-11-18/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyNLJOGYARHFJHJX-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.97
Rot. Bonds4

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate (PubChem CID 74655425) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
PubChem CID74655425
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
SMILESCCn1c2ccccc2c2cc(NC(=O)CSC#N)ccc21
InChIInChI=1S/C17H15N3OS/c1-2-20-15-6-4-3-5-13(15)14-9-12(7-8-16(14)20)19-17(21)10-22-11-18/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyNLJOGYARHFJHJX-UHFFFAOYSA-N
XLogP3.97
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
CID 90300464
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 86729719
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate (CID 74655425) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate is CCn1c2ccccc2c2cc(NC(=O)CSC#N)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate?
The InChIKey is NLJOGYARHFJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-2-20-15-6-4-3-5-13(15)14-9-12(7-8-16(14)20)19-17(21)10-22-11-18/h3-9H,2,10H2,1H3,(H,19,21).
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate has a molecular weight of 309.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate is sourced from PubChem (CID 74655425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).