4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine

C14H22N2OS — CID 3725477

IUPAC4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine
SMILESc1csc(C2(N3CCOCC3)CCCCCC2)n1
InChIInChI=1S/C14H22N2OS/c1-2-4-6-14(5-3-1,13-15-7-12-18-13)16-8-10-17-11-9-16/h7,12H,1-6,8-11H2
InChIKeyAIARFKFFDAHUFT-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.02
Rot. Bonds2

About 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine

4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine (PubChem CID 3725477) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine.

Molecular Properties

Compound Name4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine
PubChem CID3725477
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine
SMILESc1csc(C2(N3CCOCC3)CCCCCC2)n1
InChIInChI=1S/C14H22N2OS/c1-2-4-6-14(5-3-1,13-15-7-12-18-13)16-8-10-17-11-9-16/h7,12H,1-6,8-11H2
InChIKeyAIARFKFFDAHUFT-UHFFFAOYSA-N
XLogP3.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
2-(Cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 50956237
4-[3-(1,3-Thiazol-2-yl)pentan-3-yl]morpholine
CID 3378838
Morpholine, 4-[1-propyl-1-(2-thiazolyl)butyl]-
CID 3784455
Morpholine, 4-[1-(2-thiazolyl)cyclohexyl]-
CID 3816979
4-[1-(1,3-Thiazol-2-yl)cyclobutyl]morpholine
CID 172572591
4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
CID 28729772
4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
CID 28729776
4-{4-[2-(1,3-Thiazol-2-yl)-1-pyrrolidinyl]butyl}morpholine
CID 45181370
N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
CID 55084364
N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine
CID 55084457
N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine
CID 62540514

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine?
The IUPAC name of 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine (CID 3725477) is 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine.
What is the SMILES notation for 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine?
The canonical SMILES for 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine is c1csc(C2(N3CCOCC3)CCCCCC2)n1.
What is the InChIKey of 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine?
The InChIKey is AIARFKFFDAHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-4-6-14(5-3-1,13-15-7-12-18-13)16-8-10-17-11-9-16/h7,12H,1-6,8-11H2.
What are the key properties of 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine?
4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine has a molecular weight of 266.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-thiazol-2-yl)cycloheptyl]morpholine is sourced from PubChem (CID 3725477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).