4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide

C19H24N4O3S — CID 47542959

IUPAC4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)CN2CCCN(c3nc(C)cs3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c1-14-13-27-19(20-14)23-9-3-8-22(10-11-23)12-17(24)21-18(25)15-4-6-16(26-2)7-5-15/h4-7,13H,3,8-12H2,1-2H3,(H,21,24,25)
InChIKeyJYYMFMXVBSCMKJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.93
Rot. Bonds5

About 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide

4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide (PubChem CID 47542959) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide
PubChem CID47542959
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)CN2CCCN(c3nc(C)cs3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c1-14-13-27-19(20-14)23-9-3-8-22(10-11-23)12-17(24)21-18(25)15-4-6-16(26-2)7-5-15/h4-7,13H,3,8-12H2,1-2H3,(H,21,24,25)
InChIKeyJYYMFMXVBSCMKJ-UHFFFAOYSA-N
XLogP1.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47073429
2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 47073428
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47542871
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
CID 3223640
(1S)-1-(3-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanol
CID 98764226
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 86842773
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60504165
N-(1-ethylpiperidin-4-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86993362
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-4-methoxybenzamide
CID 17468809
[3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]oxetan-3-yl]methanol
CID 97030483
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78881717

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide (CID 47542959) is 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide is COc1ccc(C(=O)NC(=O)CN2CCCN(c3nc(C)cs3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide?
The InChIKey is JYYMFMXVBSCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-13-27-19(20-14)23-9-3-8-22(10-11-23)12-17(24)21-18(25)15-4-6-16(26-2)7-5-15/h4-7,13H,3,8-12H2,1-2H3,(H,21,24,25).
What are the key properties of 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide?
4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide is sourced from PubChem (CID 47542959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).