N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C16H27N3OS — CID 63915788

IUPACN-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CC(C)OCC2C)nc1C1CC1
InChIInChI=1S/C16H27N3OS/c1-4-7-17-8-14-15(13-5-6-13)18-16(21-14)19-9-12(3)20-10-11(19)2/h11-13,17H,4-10H2,1-3H3
InChIKeyKADSASADUFDMGT-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 63915788) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID63915788
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CC(C)OCC2C)nc1C1CC1
InChIInChI=1S/C16H27N3OS/c1-4-7-17-8-14-15(13-5-6-13)18-16(21-14)19-9-12(3)20-10-11(19)2/h11-13,17H,4-10H2,1-3H3
InChIKeyKADSASADUFDMGT-UHFFFAOYSA-N
XLogP3.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509788
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[[4-cyclopropyl-2-(4-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916226
4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 63916624
N-[[4-cyclopropyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916847
N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63917159
[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395338
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916943
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[4-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81246776
N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436808
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 63915788) is N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CC(C)OCC2C)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is KADSASADUFDMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-7-17-8-14-15(13-5-6-13)18-16(21-14)19-9-12(3)20-10-11(19)2/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63915788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).