N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C16H29N3OS — CID 62765352

IUPACN-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCOC(C)C2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-6-7-17-10-13-14(16(3,4)5)18-15(21-13)19-8-9-20-12(2)11-19/h12,17H,6-11H2,1-5H3
InChIKeyIEHNECJMLSHDHV-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.17
Rot. Bonds5

About N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62765352) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62765352
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCOC(C)C2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-6-7-17-10-13-14(16(3,4)5)18-15(21-13)19-8-9-20-12(2)11-19/h12,17H,6-11H2,1-5H3
InChIKeyIEHNECJMLSHDHV-UHFFFAOYSA-N
XLogP3.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62968144
2-methoxy-N-[[4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509555
[4-ethyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780833
N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388001
4-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2-methylmorpholine
CID 80688129
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967794
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508936
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967795
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79393677

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62765352) is N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCOC(C)C2)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is IEHNECJMLSHDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-6-7-17-10-13-14(16(3,4)5)18-15(21-13)19-8-9-20-12(2)11-19/h12,17H,6-11H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62765352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).