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

C15H19N3O2S — CID 56819117

IUPAC(2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3ccoc3C)CC2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-10-21-15(16-11)18-6-3-5-17(7-8-18)14(19)13-4-9-20-12(13)2/h4,9-10H,3,5-8H2,1-2H3
InChIKeyLFUZCDPZERMVDB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.71
Rot. Bonds2

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

(2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 56819117) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID56819117
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3ccoc3C)CC2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-10-21-15(16-11)18-6-3-5-17(7-8-18)14(19)13-4-9-20-12(13)2/h4,9-10H,3,5-8H2,1-2H3
InChIKeyLFUZCDPZERMVDB-UHFFFAOYSA-N
XLogP2.71
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 56819117) is (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1csc(N2CCCN(C(=O)c3ccoc3C)CC2)n1.
What is the InChIKey of (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is LFUZCDPZERMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-10-21-15(16-11)18-6-3-5-17(7-8-18)14(19)13-4-9-20-12(13)2/h4,9-10H,3,5-8H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
(2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 305.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56819117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).