6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide

C19H23ClN4O2S — CID 97442575

IUPAC6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide
SMILESCCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H23ClN4O2S/c1-3-23(4-2)18(25)17-22-15-8-10-24(11-9-16(15)27-17)19(26)21-14-7-5-6-13(20)12-14/h5-7,12H,3-4,8-11H2,1-2H3,(H,21,26)
InChIKeyPCRLCYJVCLEQHZ-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.91
Rot. Bonds4

About 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide

6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide (PubChem CID 97442575) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide
PubChem CID97442575
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide
SMILESCCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H23ClN4O2S/c1-3-23(4-2)18(25)17-22-15-8-10-24(11-9-16(15)27-17)19(26)21-14-7-5-6-13(20)12-14/h5-7,12H,3-4,8-11H2,1-2H3,(H,21,26)
InChIKeyPCRLCYJVCLEQHZ-UHFFFAOYSA-N
XLogP3.91
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide 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

N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 93221406
N-(3-chlorophenyl)-4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 46027296
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135772116
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001299
N-(3-chlorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxamide
CID 110368033

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide (CID 97442575) is 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide is CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide?
The InChIKey is PCRLCYJVCLEQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-3-23(4-2)18(25)17-22-15-8-10-24(11-9-16(15)27-17)19(26)21-14-7-5-6-13(20)12-14/h5-7,12H,3-4,8-11H2,1-2H3,(H,21,26).
What are the key properties of 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide?
6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-2-N,2-N-diethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide is sourced from PubChem (CID 97442575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).