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

C16H29N3OS — CID 114364019

IUPACN-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CN(CC)CCO2)nc1CCC
InChIInChI=1S/C16H29N3OS/c1-4-7-13-15(11-17-8-5-2)21-16(18-13)14-12-19(6-3)9-10-20-14/h14,17H,4-12H2,1-3H3
InChIKeySHTJSUJTQDFYLH-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.99
Rot. Bonds8

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

N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114364019) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114364019
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CN(CC)CCO2)nc1CCC
InChIInChI=1S/C16H29N3OS/c1-4-7-13-15(11-17-8-5-2)21-16(18-13)14-12-19(6-3)9-10-20-14/h14,17H,4-12H2,1-3H3
InChIKeySHTJSUJTQDFYLH-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.99
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-(4-ethylmorpholin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366231
N-[[2-(4-ethylmorpholin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365079
N-[[4-ethyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841682
N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362634
N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 79669267
2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359699
N-[[4-ethyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841266
N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433026
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79669924
[4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361926
N-[[2-(1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364006
N-[[2-(3-ethyl-1,4-dithian-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363903

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114364019) is N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C2CN(CC)CCO2)nc1CCC.
What is the InChIKey of N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is SHTJSUJTQDFYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-7-13-15(11-17-8-5-2)21-16(18-13)14-12-19(6-3)9-10-20-14/h14,17H,4-12H2,1-3H3.
What are the key properties of N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114364019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).