N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

C15H21N3O2S — CID 50952529

IUPACN-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cnc(N3CCOCC3)s2)o1
InChIInChI=1S/C15H21N3O2S/c1-12-3-4-13(20-12)10-17(2)11-14-9-16-15(21-14)18-5-7-19-8-6-18/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeySHDYSHJUSSNFRQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.51
Rot. Bonds5

About N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 50952529) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID50952529
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cnc(N3CCOCC3)s2)o1
InChIInChI=1S/C15H21N3O2S/c1-12-3-4-13(20-12)10-17(2)11-14-9-16-15(21-14)18-5-7-19-8-6-18/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeySHDYSHJUSSNFRQ-UHFFFAOYSA-N
XLogP2.51
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (CID 50952529) is N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ccc(CN(C)Cc2cnc(N3CCOCC3)s2)o1.
What is the InChIKey of N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is SHDYSHJUSSNFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-3-4-13(20-12)10-17(2)11-14-9-16-15(21-14)18-5-7-19-8-6-18/h3-4,9H,5-8,10-11H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 307.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 50952529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).