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

C15H27N3OS — CID 82433026

IUPACN-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CN2CCOCC2)nc1CCC
InChIInChI=1S/C15H27N3OS/c1-3-5-13-14(11-16-6-4-2)20-15(17-13)12-18-7-9-19-10-8-18/h16H,3-12H2,1-2H3
InChIKeyUCEIVXALRWCSEE-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.43
Rot. Bonds8

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

N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82433026) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82433026
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CN2CCOCC2)nc1CCC
InChIInChI=1S/C15H27N3OS/c1-3-5-13-14(11-16-6-4-2)20-15(17-13)12-18-7-9-19-10-8-18/h16H,3-12H2,1-2H3
InChIKeyUCEIVXALRWCSEE-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.43
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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Related Compounds

N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-[(dimethylamino)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432874
N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433104
N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364019
[2-(2-morpholin-4-ylethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82433206
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543
(E)-3-[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82433037
N-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766790
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150617

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82433026) is N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(CN2CCOCC2)nc1CCC.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is UCEIVXALRWCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-5-13-14(11-16-6-4-2)20-15(17-13)12-18-7-9-19-10-8-18/h16H,3-12H2,1-2H3.
What are the key properties of N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82433026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).