4-(1,3-thiazol-2-yl)-1,4-oxazepane

C8H12N2OS — CID 59156499

IUPAC4-(1,3-thiazol-2-yl)-1,4-oxazepane
SMILESc1csc(N2CCCOCC2)n1
InChIInChI=1S/C8H12N2OS/c1-3-10(4-6-11-5-1)8-9-2-7-12-8/h2,7H,1,3-6H2
InChIKeyANJWQYGJJHOIPN-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.37
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)-1,4-oxazepane

4-(1,3-thiazol-2-yl)-1,4-oxazepane (PubChem CID 59156499) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-1,4-oxazepane
PubChem CID59156499
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(1,3-thiazol-2-yl)-1,4-oxazepane
SMILESc1csc(N2CCCOCC2)n1
InChIInChI=1S/C8H12N2OS/c1-3-10(4-6-11-5-1)8-9-2-7-12-8/h2,7H,1,3-6H2
InChIKeyANJWQYGJJHOIPN-UHFFFAOYSA-N
XLogP1.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Pyrrolidin-1-ylmethyl)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-6-ol
CID 70779682
4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
Tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium
CID 123791014
2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 126808232
N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 126856192
1-[(3R,4S)-4-fluorooxolan-3-yl]-4-(1,3-thiazol-2-yl)piperazine
CID 126856291
N-(4-fluorooxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 126857875
1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 2088725
2-[Methyl(1,3-thiazol-2-yl)amino]ethanol
CID 10080635
N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 53832902
2-[Ethyl(1,3-thiazol-2-yl)amino]ethanol
CID 57026365

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-1,4-oxazepane?
The IUPAC name of 4-(1,3-thiazol-2-yl)-1,4-oxazepane (CID 59156499) is 4-(1,3-thiazol-2-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-1,4-oxazepane?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-1,4-oxazepane is c1csc(N2CCCOCC2)n1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-1,4-oxazepane?
The InChIKey is ANJWQYGJJHOIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-10(4-6-11-5-1)8-9-2-7-12-8/h2,7H,1,3-6H2.
What are the key properties of 4-(1,3-thiazol-2-yl)-1,4-oxazepane?
4-(1,3-thiazol-2-yl)-1,4-oxazepane has a molecular weight of 184.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-1,4-oxazepane is sourced from PubChem (CID 59156499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).