2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole

C14H19N3OS — CID 3861631

IUPAC2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
SMILESc1coc(CN2CCCN(Cc3nccs3)CC2)c1
InChIInChI=1S/C14H19N3OS/c1-3-13(18-9-1)11-16-5-2-6-17(8-7-16)12-14-15-4-10-19-14/h1,3-4,9-10H,2,5-8,11-12H2
InChIKeyVTUZAKVWDHMAPY-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.44
Rot. Bonds4

About 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole

2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole (PubChem CID 3861631) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
PubChem CID3861631
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
SMILESc1coc(CN2CCCN(Cc3nccs3)CC2)c1
InChIInChI=1S/C14H19N3OS/c1-3-13(18-9-1)11-16-5-2-6-17(8-7-16)12-14-15-4-10-19-14/h1,3-4,9-10H,2,5-8,11-12H2
InChIKeyVTUZAKVWDHMAPY-UHFFFAOYSA-N
XLogP2.44
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

(3S)-1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97186745
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 23848048
4-(1,3-thiazol-2-ylmethyl)-1,4-thiazepane
CID 84592058
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667
2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
CID 97396857
1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane
CID 3824106
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 136535627
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole (CID 3861631) is 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole is c1coc(CN2CCCN(Cc3nccs3)CC2)c1.
What is the InChIKey of 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole?
The InChIKey is VTUZAKVWDHMAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-13(18-9-1)11-16-5-2-6-17(8-7-16)12-14-15-4-10-19-14/h1,3-4,9-10H,2,5-8,11-12H2.
What are the key properties of 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole?
2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole has a molecular weight of 277.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3861631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).