2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone

C10H16N4OS — CID 83634826

IUPAC2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
SMILESNCC(=O)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C10H16N4OS/c11-8-9(15)13-3-1-4-14(6-5-13)10-12-2-7-16-10/h2,7H,1,3-6,8,11H2
InChIKeyAWZQHLSRNQQUQD-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.14
Rot. Bonds2

About 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone

2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone (PubChem CID 83634826) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
PubChem CID83634826
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
SMILESNCC(=O)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C10H16N4OS/c11-8-9(15)13-3-1-4-14(6-5-13)10-12-2-7-16-10/h2,7H,1,3-6,8,11H2
InChIKeyAWZQHLSRNQQUQD-UHFFFAOYSA-N
XLogP0.14
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 119863990
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
4-(methylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 119863940
3-amino-3-phenyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 119953404
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
(2S)-2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pentan-1-one;dihydrochloride
CID 119863994
3-amino-2-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 120503344
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
3-piperidin-4-yl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 119863971

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone (CID 83634826) is 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone is NCC(=O)N1CCCN(c2nccs2)CC1.
What is the InChIKey of 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is AWZQHLSRNQQUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-8-9(15)13-3-1-4-14(6-5-13)10-12-2-7-16-10/h2,7H,1,3-6,8,11H2.
What are the key properties of 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone?
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 240.33 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 83634826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).