[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone

C17H21N3O3S — CID 97462048

IUPAC[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2c(s1)CCN(Cc1ccoc1)CC2)N1CCOCC1
InChIInChI=1S/C17H21N3O3S/c21-17(20-6-9-22-10-7-20)16-18-14-1-4-19(5-2-15(14)24-16)11-13-3-8-23-12-13/h3,8,12H,1-2,4-7,9-11H2
InChIKeyRDHDSPBWUIIZJM-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.81
Rot. Bonds3

About [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone

[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (PubChem CID 97462048) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
PubChem CID97462048
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2c(s1)CCN(Cc1ccoc1)CC2)N1CCOCC1
InChIInChI=1S/C17H21N3O3S/c21-17(20-6-9-22-10-7-20)16-18-14-1-4-19(5-2-15(14)24-16)11-13-3-8-23-12-13/h3,8,12H,1-2,4-7,9-11H2
InChIKeyRDHDSPBWUIIZJM-UHFFFAOYSA-N
XLogP1.81
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone
CID 97389075
[6-[(3-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-piperidin-1-ylmethanone
CID 97442532
6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442519
[6-[(1-methylpyrazol-4-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155853075
(4-benzylpiperazin-1-yl)-[2-[[4-(furan-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856327
[(3S)-1-[1-(furan-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96577944
N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
6-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442553
pyridin-3-yl-[2-(pyrrolidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 97442557
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone
CID 131690381
N-benzyl-6-[(3-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155875363

Frequently Asked Questions

What is the IUPAC name of [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (CID 97462048) is [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is O=C(c1nc2c(s1)CCN(Cc1ccoc1)CC2)N1CCOCC1.
What is the InChIKey of [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is RDHDSPBWUIIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-17(20-6-9-22-10-7-20)16-18-14-1-4-19(5-2-15(14)24-16)11-13-3-8-23-12-13/h3,8,12H,1-2,4-7,9-11H2.
What are the key properties of [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 347.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97462048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).