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

C18H22N4O2S — CID 97389075

IUPACmorpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone
SMILESO=C(c1nc2c(s1)CCN(Cc1ccncc1)CC2)N1CCOCC1
InChIInChI=1S/C18H22N4O2S/c23-18(22-9-11-24-12-10-22)17-20-15-3-7-21(8-4-16(15)25-17)13-14-1-5-19-6-2-14/h1-2,5-6H,3-4,7-13H2
InChIKeyOEYZKZMFJKQTKM-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.61
Rot. Bonds3

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

morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone (PubChem CID 97389075) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone
PubChem CID97389075
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Namemorpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone
SMILESO=C(c1nc2c(s1)CCN(Cc1ccncc1)CC2)N1CCOCC1
InChIInChI=1S/C18H22N4O2S/c23-18(22-9-11-24-12-10-22)17-20-15-3-7-21(8-4-16(15)25-17)13-14-1-5-19-6-2-14/h1-2,5-6H,3-4,7-13H2
InChIKeyOEYZKZMFJKQTKM-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
CID 97462048
6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442519
[6-[(3-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-piperidin-1-ylmethanone
CID 97442532
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
pyridin-3-yl-[2-(pyrrolidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 97442557
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 110253769
6-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pyridin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155858216
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226250
N-(2-methylpropyl)-6-(pyridine-4-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849745

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone (CID 97389075) is morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone is O=C(c1nc2c(s1)CCN(Cc1ccncc1)CC2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone?
The InChIKey is OEYZKZMFJKQTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-18(22-9-11-24-12-10-22)17-20-15-3-7-21(8-4-16(15)25-17)13-14-1-5-19-6-2-14/h1-2,5-6H,3-4,7-13H2.
What are the key properties of morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone?
morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone has a molecular weight of 358.47 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone is sourced from PubChem (CID 97389075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).