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

C15H27N3OS — CID 43210206

IUPAC4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine
SMILESCc1nc(CNCC(CC(C)C)N2CCOCC2)cs1
InChIInChI=1S/C15H27N3OS/c1-12(2)8-15(18-4-6-19-7-5-18)10-16-9-14-11-20-13(3)17-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyGBNAVDQDQXZMTF-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.29
Rot. Bonds7

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

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine (PubChem CID 43210206) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine
PubChem CID43210206
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine
SMILESCc1nc(CNCC(CC(C)C)N2CCOCC2)cs1
InChIInChI=1S/C15H27N3OS/c1-12(2)8-15(18-4-6-19-7-5-18)10-16-9-14-11-20-13(3)17-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyGBNAVDQDQXZMTF-UHFFFAOYSA-N
XLogP2.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine (CID 43210206) is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine is Cc1nc(CNCC(CC(C)C)N2CCOCC2)cs1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine?
The InChIKey is GBNAVDQDQXZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12(2)8-15(18-4-6-19-7-5-18)10-16-9-14-11-20-13(3)17-14/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine?
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 43210206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).