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

C13H23N3OS — CID 62765156

IUPACN-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1nc(N2CCOCC2)sc1CNC(C)C
InChIInChI=1S/C13H23N3OS/c1-4-11-12(9-14-10(2)3)18-13(15-11)16-5-7-17-8-6-16/h10,14H,4-9H2,1-3H3
InChIKeyHWHYMHNZZCOHEC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.04
Rot. Bonds5

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

N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 62765156) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID62765156
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1nc(N2CCOCC2)sc1CNC(C)C
InChIInChI=1S/C13H23N3OS/c1-4-11-12(9-14-10(2)3)18-13(15-11)16-5-7-17-8-6-16/h10,14H,4-9H2,1-3H3
InChIKeyHWHYMHNZZCOHEC-UHFFFAOYSA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 62765156) is N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is CCc1nc(N2CCOCC2)sc1CNC(C)C.
What is the InChIKey of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is HWHYMHNZZCOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-11-12(9-14-10(2)3)18-13(15-11)16-5-7-17-8-6-16/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 62765156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).