1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one

C11H16N4O2S — CID 136516092

IUPAC1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
SMILESCCNc1nc(C(=O)N2CCNC(=O)CC2)cs1
InChIInChI=1S/C11H16N4O2S/c1-2-12-11-14-8(7-18-11)10(17)15-5-3-9(16)13-4-6-15/h7H,2-6H2,1H3,(H,12,14)(H,13,16)
InChIKeyOBDNRECIFQCFEQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.54
Rot. Bonds3

About 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one

1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one (PubChem CID 136516092) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
PubChem CID136516092
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
SMILESCCNc1nc(C(=O)N2CCNC(=O)CC2)cs1
InChIInChI=1S/C11H16N4O2S/c1-2-12-11-14-8(7-18-11)10(17)15-5-3-9(16)13-4-6-15/h7H,2-6H2,1H3,(H,12,14)(H,13,16)
InChIKeyOBDNRECIFQCFEQ-UHFFFAOYSA-N
XLogP0.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 104641244
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136481
1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72897327
[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 166306966
4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90510333
[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 164632570
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
1-[4-(ethylamino)-3-methylbenzoyl]-1,4-diazepan-5-one
CID 63211499
1-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 63000298
1-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-5-one
CID 62046931
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one (CID 136516092) is 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one is CCNc1nc(C(=O)N2CCNC(=O)CC2)cs1.
What is the InChIKey of 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one?
The InChIKey is OBDNRECIFQCFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-12-11-14-8(7-18-11)10(17)15-5-3-9(16)13-4-6-15/h7H,2-6H2,1H3,(H,12,14)(H,13,16).
What are the key properties of 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one?
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one has a molecular weight of 268.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one is sourced from PubChem (CID 136516092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).