1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one

C14H19N5OS — CID 63004333

IUPAC1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
SMILESO=C1CCN(c2nc3sccn3c2CNC2CC2)CCN1
InChIInChI=1S/C14H19N5OS/c20-12-3-5-18(6-4-15-12)13-11(9-16-10-1-2-10)19-7-8-21-14(19)17-13/h7-8,10,16H,1-6,9H2,(H,15,20)
InChIKeyPEAGWICWHLUYEU-UHFFFAOYSA-N
MW305.41 g/mol
LogP0.97
Rot. Bonds4

About 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one

1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one (PubChem CID 63004333) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
PubChem CID63004333
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
SMILESO=C1CCN(c2nc3sccn3c2CNC2CC2)CCN1
InChIInChI=1S/C14H19N5OS/c20-12-3-5-18(6-4-15-12)13-11(9-16-10-1-2-10)19-7-8-21-14(19)17-13/h7-8,10,16H,1-6,9H2,(H,15,20)
InChIKeyPEAGWICWHLUYEU-UHFFFAOYSA-N
XLogP0.97
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one (CID 63004333) is 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one is O=C1CCN(c2nc3sccn3c2CNC2CC2)CCN1.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The InChIKey is PEAGWICWHLUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-12-3-5-18(6-4-15-12)13-11(9-16-10-1-2-10)19-7-8-21-14(19)17-13/h7-8,10,16H,1-6,9H2,(H,15,20).
What are the key properties of 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one has a molecular weight of 305.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 63004333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).