N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

C20H19N3O2S — CID 134807815

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)OCCN(c2ccccc2)C3)s1
InChIInChI=1S/C20H19N3O2S/c1-14-12-21-20(26-14)22-19(24)15-7-8-16-13-23(9-10-25-18(16)11-15)17-5-3-2-4-6-17/h2-8,11-12H,9-10,13H2,1H3,(H,21,22,24)
InChIKeyWXUFGJWKYRFQLJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.10
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (PubChem CID 134807815) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
PubChem CID134807815
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)OCCN(c2ccccc2)C3)s1
InChIInChI=1S/C20H19N3O2S/c1-14-12-21-20(26-14)22-19(24)15-7-8-16-13-23(9-10-25-18(16)11-15)17-5-3-2-4-6-17/h2-8,11-12H,9-10,13H2,1H3,(H,21,22,24)
InChIKeyWXUFGJWKYRFQLJ-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 25115386
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CID 792393
4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-2-yl-benzamide
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4-(diethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 25099088
4-(dimethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45269011
4-acetamido-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45272423
N-(4-methylthiazol-2-yl)-3-(pyridin-3-yloxy)benzamide
CID 51033561
2-[(phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 2936872
3-benzyloxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 26203066
N-hydroxy-4-(((2-phenoxyethyl)(5-p-tolylthiazol-2-yl)amino)methyl)benzamide
CID 45102716
N-hydroxy-4-(((2-(p-tolyloxy)ethyl)(5-p-tolylthiazol-2-yl)amino)methyl)benzamide
CID 45102721
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(4-phenoxybutyl)amino]methyl]benzamide
CID 45102722

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (CID 134807815) is N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is Cc1cnc(NC(=O)c2ccc3c(c2)OCCN(c2ccccc2)C3)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The InChIKey is WXUFGJWKYRFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-12-21-20(26-14)22-19(24)15-7-8-16-13-23(9-10-25-18(16)11-15)17-5-3-2-4-6-17/h2-8,11-12H,9-10,13H2,1H3,(H,21,22,24).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 134807815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).