2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H27N5O2S — CID 146131791

IUPAC2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C16H27N5O2S/c1-3-21(4-2)15(23)13-20-8-5-7-19(9-10-20)12-14(22)18-16-17-6-11-24-16/h6,11H,3-5,7-10,12-13H2,1-2H3,(H,17,18,22)
InChIKeyRVQSLPDOPNUQKA-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.96
Rot. Bonds7

About 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 146131791) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID146131791
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C16H27N5O2S/c1-3-21(4-2)15(23)13-20-8-5-7-19(9-10-20)12-14(22)18-16-17-6-11-24-16/h6,11H,3-5,7-10,12-13H2,1-2H3,(H,17,18,22)
InChIKeyRVQSLPDOPNUQKA-UHFFFAOYSA-N
XLogP0.96
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
2-[(4R)-4-[benzylsulfonyl(methyl)amino]azepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92634989
2-[4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 78898457
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 18142778
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285
2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 30485889
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95279659

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 146131791) is 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CCN(CC)C(=O)CN1CCCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RVQSLPDOPNUQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-3-21(4-2)15(23)13-20-8-5-7-19(9-10-20)12-14(22)18-16-17-6-11-24-16/h6,11H,3-5,7-10,12-13H2,1-2H3,(H,17,18,22).
What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 353.49 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 146131791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).