N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide

C21H24N4O4S — CID 53187100

IUPACN-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
SMILESCC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H24N4O4S/c1-16-19(17-7-3-2-4-8-17)30(27,28)23-20(16)24-10-6-11-25(13-12-24)21(26)22-15-18-9-5-14-29-18/h2-5,7-9,14H,6,10-13,15H2,1H3,(H,22,26)
InChIKeyVXMDIOCBOXXSBW-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.67
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide

N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide (PubChem CID 53187100) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
PubChem CID53187100
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
SMILESCC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H24N4O4S/c1-16-19(17-7-3-2-4-8-17)30(27,28)23-20(16)24-10-6-11-25(13-12-24)21(26)22-15-18-9-5-14-29-18/h2-5,7-9,14H,6,10-13,15H2,1H3,(H,22,26)
InChIKeyVXMDIOCBOXXSBW-UHFFFAOYSA-N
XLogP2.67
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide 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-cyclohexyl-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
CID 53187132
4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide
CID 53187145
1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20887317
[4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepan-1-yl]-phenylmethanone
CID 53171716
(2S)-2-methyl-1-[4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepan-1-yl]butan-1-one
CID 95102134
3-(4-ethylsulfonyl-1,4-diazepan-1-yl)-4-methyl-5-phenyl-1,2-thiazole 1,1-dioxide
CID 53187194
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20943232
1-[4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepan-1-yl]-3-methoxypropan-1-one
CID 53171559
1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidine-4-carboxamide
CID 22512595
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106498
4-acetyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 3868005
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 94975757

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide (CID 53187100) is N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide is CC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCCN(C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is VXMDIOCBOXXSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-16-19(17-7-3-2-4-8-17)30(27,28)23-20(16)24-10-6-11-25(13-12-24)21(26)22-15-18-9-5-14-29-18/h2-5,7-9,14H,6,10-13,15H2,1H3,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide?
N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 53187100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).