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

C15H19N3O2S — CID 56819120

IUPAC(3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3occc3C)CC2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-4-9-20-13(11)14(19)17-5-3-6-18(8-7-17)15-16-12(2)10-21-15/h4,9-10H,3,5-8H2,1-2H3
InChIKeyRJBCOYIKSKCAMX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.71
Rot. Bonds2

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

(3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 56819120) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID56819120
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3occc3C)CC2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-4-9-20-13(11)14(19)17-5-3-6-18(8-7-17)15-16-12(2)10-21-15/h4,9-10H,3,5-8H2,1-2H3
InChIKeyRJBCOYIKSKCAMX-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 (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 56819120) is (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1csc(N2CCCN(C(=O)c3occc3C)CC2)n1.
What is the InChIKey of (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is RJBCOYIKSKCAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-4-9-20-13(11)14(19)17-5-3-6-18(8-7-17)15-16-12(2)10-21-15/h4,9-10H,3,5-8H2,1-2H3.
What are the key properties of (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
(3-methylfuran-2-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 (3-methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56819120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).