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

C16H29N3OS — CID 62766790

IUPACN-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCOC(C)(C)C2)nc1CCC
InChIInChI=1S/C16H29N3OS/c1-5-7-13-14(11-17-8-6-2)21-15(18-13)19-9-10-20-16(3,4)12-19/h17H,5-12H2,1-4H3
InChIKeyOARBNOIPFUARRU-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.21
Rot. Bonds7

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

N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62766790) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62766790
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCOC(C)(C)C2)nc1CCC
InChIInChI=1S/C16H29N3OS/c1-5-7-13-14(11-17-8-6-2)21-15(18-13)19-9-10-20-16(3,4)12-19/h17H,5-12H2,1-4H3
InChIKeyOARBNOIPFUARRU-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62766790) is N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCOC(C)(C)C2)nc1CCC.
What is the InChIKey of N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is OARBNOIPFUARRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-7-13-14(11-17-8-6-2)21-15(18-13)19-9-10-20-16(3,4)12-19/h17H,5-12H2,1-4H3.
What are the key properties of N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62766790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).