2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

C18H29N3OS — CID 56812935

IUPAC2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCCc1nc(CN2CCCN(C(=O)CC3CCCC3)CC2)cs1
InChIInChI=1S/C18H29N3OS/c1-2-17-19-16(14-23-17)13-20-8-5-9-21(11-10-20)18(22)12-15-6-3-4-7-15/h14-15H,2-13H2,1H3
InChIKeyCXHQMMJQFWOJEP-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.32
Rot. Bonds5

About 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 56812935) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID56812935
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCCc1nc(CN2CCCN(C(=O)CC3CCCC3)CC2)cs1
InChIInChI=1S/C18H29N3OS/c1-2-17-19-16(14-23-17)13-20-8-5-9-21(11-10-20)18(22)12-15-6-3-4-7-15/h14-15H,2-13H2,1H3
InChIKeyCXHQMMJQFWOJEP-UHFFFAOYSA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone 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

Cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51092653
1-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carbonitrile
CID 53606980
Cyclobutyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53623785
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819378
N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 53149401
N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149424
N-({2-[1-(cyclopentylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 53149425
N-({2-[1-(cyclohexylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 71842083
Cyclopentyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 53016864
N-({2-[1-(cyclohexylcarbonyl)-4-piperidyl]-1,3-thiazol-4-yl}methyl)acetamide
CID 53149332
N-({2-[1-(cyclohexylcarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 53149356
N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 53149370

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone (CID 56812935) is 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone is CCc1nc(CN2CCCN(C(=O)CC3CCCC3)CC2)cs1.
What is the InChIKey of 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is CXHQMMJQFWOJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-2-17-19-16(14-23-17)13-20-8-5-9-21(11-10-20)18(22)12-15-6-3-4-7-15/h14-15H,2-13H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone?
2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 335.52 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 56812935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).