1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one

C10H15N3OS — CID 157138436

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one
SMILESCCc1cnc(N2CCNC(=O)CC2)s1
InChIInChI=1S/C10H15N3OS/c1-2-8-7-12-10(15-8)13-5-3-9(14)11-4-6-13/h7H,2-6H2,1H3,(H,11,14)
InChIKeyRREMYTVNBQPYOM-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.03
Rot. Bonds2

About 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one

1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one (PubChem CID 157138436) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one
PubChem CID157138436
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one
SMILESCCc1cnc(N2CCNC(=O)CC2)s1
InChIInChI=1S/C10H15N3OS/c1-2-8-7-12-10(15-8)13-5-3-9(14)11-4-6-13/h7H,2-6H2,1H3,(H,11,14)
InChIKeyRREMYTVNBQPYOM-UHFFFAOYSA-N
XLogP1.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(aminomethyl)-1,3-thiazol-2-yl]-1,4-diazepan-5-one
CID 62999023
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 62750903
4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62750906
1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 103333589
1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride
CID 120899996
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
1-(2-oxo-1H-pyrazin-3-yl)-1,4-diazepan-5-one
CID 115657445
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80831098
7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 138022569
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120941808
[2-(4-oxopiperidin-1-yl)-1,3-thiazol-5-yl]methyl carbamate
CID 126697202
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119886786

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one (CID 157138436) is 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one is CCc1cnc(N2CCNC(=O)CC2)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one?
The InChIKey is RREMYTVNBQPYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-8-7-12-10(15-8)13-5-3-9(14)11-4-6-13/h7H,2-6H2,1H3,(H,11,14).
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one?
1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one has a molecular weight of 225.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 157138436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).