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

C12H20N2OS — CID 3378838

IUPAC4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine
SMILESCCC(CC)(c1nccs1)N1CCOCC1
InChIInChI=1S/C12H20N2OS/c1-3-12(4-2,11-13-5-10-16-11)14-6-8-15-9-7-14/h5,10H,3-4,6-9H2,1-2H3
InChIKeyMYAKSONMQKUXKA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.49
Rot. Bonds4

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

4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine (PubChem CID 3378838) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine
PubChem CID3378838
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine
SMILESCCC(CC)(c1nccs1)N1CCOCC1
InChIInChI=1S/C12H20N2OS/c1-3-12(4-2,11-13-5-10-16-11)14-6-8-15-9-7-14/h5,10H,3-4,6-9H2,1-2H3
InChIKeyMYAKSONMQKUXKA-UHFFFAOYSA-N
XLogP2.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 95042861
2-[4-(1,3-Thiazol-2-ylmethyl)piperidin-1-yl]ethanol
CID 95817169
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118745959
4-(1,3-Thiazol-2-yl)oxan-4-amine
CID 61330275
2-Methyl-4-[2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]morpholine
CID 121537085
6-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 132399123
N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77091916
9-(2-Methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131653802
Morpholine, 4-[1-(2-thiazolyl)cycloheptyl]-
CID 3725477
Morpholine, 4-[1-propyl-1-(2-thiazolyl)butyl]-
CID 3784455
Morpholine, 4-[1-(2-thiazolyl)cyclohexyl]-
CID 3816979

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine?
The IUPAC name of 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine (CID 3378838) is 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine.
What is the SMILES notation for 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine?
The canonical SMILES for 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine is CCC(CC)(c1nccs1)N1CCOCC1.
What is the InChIKey of 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine?
The InChIKey is MYAKSONMQKUXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-12(4-2,11-13-5-10-16-11)14-6-8-15-9-7-14/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine?
4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine has a molecular weight of 240.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-thiazol-2-yl)pentan-3-yl]morpholine is sourced from PubChem (CID 3378838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).