N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine

C12H23N3OS — CID 114168381

IUPACN-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine
SMILESCCC(CC)C1CN=C(NN2CCOCC2)S1
InChIInChI=1S/C12H23N3OS/c1-3-10(4-2)11-9-13-12(17-11)14-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyFVAJUEZJUUBOLO-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.73
Rot. Bonds4

About N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine

N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine (PubChem CID 114168381) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine
PubChem CID114168381
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine
SMILESCCC(CC)C1CN=C(NN2CCOCC2)S1
InChIInChI=1S/C12H23N3OS/c1-3-10(4-2)11-9-13-12(17-11)14-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyFVAJUEZJUUBOLO-UHFFFAOYSA-N
XLogP1.73
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
CID 83017319
N-(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)morpholin-4-amine
CID 83017320
N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine
CID 83017498
N-(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine
CID 83017613
N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine
CID 83018458
N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine
CID 83018605
N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)morpholin-4-amine
CID 83018606
N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine
CID 83018753
N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine
CID 83018901
N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine
CID 83019059
N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
CID 83019060
N-(4,4-diethyl-5H-1,3-thiazol-2-yl)morpholin-4-amine
CID 83019190

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine?
The IUPAC name of N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine (CID 114168381) is N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine?
The canonical SMILES for N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine is CCC(CC)C1CN=C(NN2CCOCC2)S1.
What is the InChIKey of N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine?
The InChIKey is FVAJUEZJUUBOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-3-10(4-2)11-9-13-12(17-11)14-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine?
N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine has a molecular weight of 257.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine is sourced from PubChem (CID 114168381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).