4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide

C20H20N4S2 — CID 18537301

IUPAC4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Nc2ccc3c(c2)c2ccccc2n3CC)c(SC)s1
InChIInChI=1S/C20H20N4S2/c1-3-24-16-7-5-4-6-13(16)14-10-12(8-9-17(14)24)23-15-11-18(19(21)22)26-20(15)25-2/h4-11,23H,3H2,1-2H3,(H3,21,22)
InChIKeyADXZXWZFGQXOHF-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.63
Rot. Bonds5

About 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide

4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide (PubChem CID 18537301) has the molecular formula C20H20N4S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide
PubChem CID18537301
Molecular FormulaC20H20N4S2
Molecular Weight380.54 g/mol
Exact Mass380.11
IUPAC Name4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Nc2ccc3c(c2)c2ccccc2n3CC)c(SC)s1
InChIInChI=1S/C20H20N4S2/c1-3-24-16-7-5-4-6-13(16)14-10-12(8-9-17(14)24)23-15-11-18(19(21)22)26-20(15)25-2/h4-11,23H,3H2,1-2H3,(H3,21,22)
InChIKeyADXZXWZFGQXOHF-UHFFFAOYSA-N
XLogP5.63
TPSA66.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide 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

4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide
CID 143165721
3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine
CID 145495657
5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
CID 2313809
N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide
CID 18536844
N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine
CID 144914531
N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)benzamide;(E)-N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-3-phenylprop-2-enamide
CID 70074081
2,5-dichloro-3-[(9-ethylcarbazol-2-yl)amino]-6-[(9-ethylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione
CID 11157644
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-[carbamoyl(methyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 9400428

Frequently Asked Questions

What is the IUPAC name of 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide?
The IUPAC name of 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide (CID 18537301) is 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide.
What is the SMILES notation for 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide?
The canonical SMILES for 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(Nc2ccc3c(c2)c2ccccc2n3CC)c(SC)s1.
What is the InChIKey of 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide?
The InChIKey is ADXZXWZFGQXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S2/c1-3-24-16-7-5-4-6-13(16)14-10-12(8-9-17(14)24)23-15-11-18(19(21)22)26-20(15)25-2/h4-11,23H,3H2,1-2H3,(H3,21,22).
What are the key properties of 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide?
4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide has a molecular weight of 380.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide is sourced from PubChem (CID 18537301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).