1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone

C13H20N4OS — CID 103361511

IUPAC1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2snc(N)c2C2CC2)CC1
InChIInChI=1S/C13H20N4OS/c1-9(18)16-5-2-6-17(8-7-16)13-11(10-3-4-10)12(14)15-19-13/h10H,2-8H2,1H3,(H2,14,15)
InChIKeyZDBHEMFAIMQZEO-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.66
Rot. Bonds2

About 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone

1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone (PubChem CID 103361511) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
PubChem CID103361511
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2snc(N)c2C2CC2)CC1
InChIInChI=1S/C13H20N4OS/c1-9(18)16-5-2-6-17(8-7-16)13-11(10-3-4-10)12(14)15-19-13/h10H,2-8H2,1H3,(H2,14,15)
InChIKeyZDBHEMFAIMQZEO-UHFFFAOYSA-N
XLogP1.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365815
1-[4-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361512
5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
CID 103381005
5-(4-tert-butylpiperidin-1-yl)-4-cyclopropyl-1,2-thiazol-3-amine
CID 103360618
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362747
ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103381006
4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365547
[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103361589
1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
CID 103360446
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone (CID 103361511) is 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(c2snc(N)c2C2CC2)CC1.
What is the InChIKey of 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is ZDBHEMFAIMQZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9(18)16-5-2-6-17(8-7-16)13-11(10-3-4-10)12(14)15-19-13/h10H,2-8H2,1H3,(H2,14,15).
What are the key properties of 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone?
1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 280.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 103361511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).