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

C16H29N3OS — CID 60981931

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCCc1ncc(CNCC(CC(C)C)N2CCOCC2)s1
InChIInChI=1S/C16H29N3OS/c1-4-16-18-12-15(21-16)11-17-10-14(9-13(2)3)19-5-7-20-8-6-19/h12-14,17H,4-11H2,1-3H3
InChIKeyNLHWYBKLLWIXQB-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.54
Rot. Bonds8

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (PubChem CID 60981931) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
PubChem CID60981931
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCCc1ncc(CNCC(CC(C)C)N2CCOCC2)s1
InChIInChI=1S/C16H29N3OS/c1-4-16-18-12-15(21-16)11-17-10-14(9-13(2)3)19-5-7-20-8-6-19/h12-14,17H,4-11H2,1-3H3
InChIKeyNLHWYBKLLWIXQB-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (CID 60981931) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is CCc1ncc(CNCC(CC(C)C)N2CCOCC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The InChIKey is NLHWYBKLLWIXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-16-18-12-15(21-16)11-17-10-14(9-13(2)3)19-5-7-20-8-6-19/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 60981931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).