N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

C22H24N4OS — CID 67200866

IUPACN-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCc1csc(Cn2c3c(c4cc(C#N)ccc42)CC(NC(=O)C(C)C)CC3)n1
InChIInChI=1S/C22H24N4OS/c1-13(2)22(27)25-16-5-7-20-18(9-16)17-8-15(10-23)4-6-19(17)26(20)11-21-24-14(3)12-28-21/h4,6,8,12-13,16H,5,7,9,11H2,1-3H3,(H,25,27)
InChIKeyPNNAPRRMQDQOQL-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.96
Rot. Bonds4

About N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (PubChem CID 67200866) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
PubChem CID67200866
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCc1csc(Cn2c3c(c4cc(C#N)ccc42)CC(NC(=O)C(C)C)CC3)n1
InChIInChI=1S/C22H24N4OS/c1-13(2)22(27)25-16-5-7-20-18(9-16)17-8-15(10-23)4-6-19(17)26(20)11-21-24-14(3)12-28-21/h4,6,8,12-13,16H,5,7,9,11H2,1-3H3,(H,25,27)
InChIKeyPNNAPRRMQDQOQL-UHFFFAOYSA-N
XLogP3.96
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (CID 67200866) is N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is Cc1csc(Cn2c3c(c4cc(C#N)ccc42)CC(NC(=O)C(C)C)CC3)n1.
What is the InChIKey of N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The InChIKey is PNNAPRRMQDQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-13(2)22(27)25-16-5-7-20-18(9-16)17-8-15(10-23)4-6-19(17)26(20)11-21-24-14(3)12-28-21/h4,6,8,12-13,16H,5,7,9,11H2,1-3H3,(H,25,27).
What are the key properties of N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide has a molecular weight of 392.53 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 67200866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).