1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride

C9H15ClN4OS — CID 120899996

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride
SMILESCl.Nc1ncc(CN2CCNC(=O)CC2)s1
InChIInChI=1S/C9H14N4OS.ClH/c10-9-12-5-7(15-9)6-13-3-1-8(14)11-2-4-13;/h5H,1-4,6H2,(H2,10,12)(H,11,14);1H
InChIKeySZXJLLWSROLHIC-UHFFFAOYSA-N
MW262.77 g/mol
LogP0.47
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride

1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride (PubChem CID 120899996) has the molecular formula C9H15ClN4OS and a molecular weight of 262.77 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride
PubChem CID120899996
Molecular FormulaC9H15ClN4OS
Molecular Weight262.77 g/mol
Exact Mass262.07
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride
SMILESCl.Nc1ncc(CN2CCNC(=O)CC2)s1
InChIInChI=1S/C9H14N4OS.ClH/c10-9-12-5-7(15-9)6-13-3-1-8(14)11-2-4-13;/h5H,1-4,6H2,(H2,10,12)(H,11,14);1H
InChIKeySZXJLLWSROLHIC-UHFFFAOYSA-N
XLogP0.47
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride (CID 120899996) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride is Cl.Nc1ncc(CN2CCNC(=O)CC2)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride?
The InChIKey is SZXJLLWSROLHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS.ClH/c10-9-12-5-7(15-9)6-13-3-1-8(14)11-2-4-13;/h5H,1-4,6H2,(H2,10,12)(H,11,14);1H.
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride has a molecular weight of 262.77 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride is sourced from PubChem (CID 120899996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).