1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone

C13H15N3O2S — CID 119418759

IUPAC1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccoc2)n1)N1CCCNCC1
InChIInChI=1S/C13H15N3O2S/c17-13(16-5-1-3-14-4-6-16)11-9-19-12(15-11)10-2-7-18-8-10/h2,7-9,14H,1,3-6H2
InChIKeyVJFDUSOHHVQMOA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.84
Rot. Bonds2

About 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone

1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 119418759) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
PubChem CID119418759
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccoc2)n1)N1CCCNCC1
InChIInChI=1S/C13H15N3O2S/c17-13(16-5-1-3-14-4-6-16)11-9-19-12(15-11)10-2-7-18-8-10/h2,7-9,14H,1,3-6H2
InChIKeyVJFDUSOHHVQMOA-UHFFFAOYSA-N
XLogP1.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-diazepan-1-yl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone
CID 119415859
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119416065
1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 119125746
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120833329
[4-(aminomethyl)piperidin-1-yl]-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119424072
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
(3S)-1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703697
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone (CID 119418759) is 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccoc2)n1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is VJFDUSOHHVQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(16-5-1-3-14-4-6-16)11-9-19-12(15-11)10-2-7-18-8-10/h2,7-9,14H,1,3-6H2.
What are the key properties of 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone?
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 277.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 119418759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).