4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide

C22H20N4O3S — CID 108784552

IUPAC4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20N4O3S/c1-13-19(21(29)24-16-7-3-2-4-8-16)30-22(23-13)26-20(28)15-10-11-17-14(12-15)6-5-9-18(27)25-17/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,24,29)(H,25,27)(H,23,26,28)
InChIKeyDCJLOXXNVPGSSX-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.23
Rot. Bonds4

About 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide

4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 108784552) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID108784552
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20N4O3S/c1-13-19(21(29)24-16-7-3-2-4-8-16)30-22(23-13)26-20(28)15-10-11-17-14(12-15)6-5-9-18(27)25-17/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,24,29)(H,25,27)(H,23,26,28)
InChIKeyDCJLOXXNVPGSSX-UHFFFAOYSA-N
XLogP4.23
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797692
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide
CID 126791565
ethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 108808945
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468296
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
methyl 4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 44922171
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468297

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 108784552) is 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is DCJLOXXNVPGSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13-19(21(29)24-16-7-3-2-4-8-16)30-22(23-13)26-20(28)15-10-11-17-14(12-15)6-5-9-18(27)25-17/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,24,29)(H,25,27)(H,23,26,28).
What are the key properties of 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 108784552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).