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

C14H20N2OS — CID 61283071

IUPACN-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C14H20N2OS/c1-5-8-15-10(3)13-11(4)16-14(18-13)12-7-6-9(2)17-12/h6-7,10,15H,5,8H2,1-4H3
InChIKeyBCEPPTNIPYIYNX-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.08
Rot. Bonds5

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

N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 61283071) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID61283071
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C14H20N2OS/c1-5-8-15-10(3)13-11(4)16-14(18-13)12-7-6-9(2)17-12/h6-7,10,15H,5,8H2,1-4H3
InChIKeyBCEPPTNIPYIYNX-UHFFFAOYSA-N
XLogP4.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 61283071) is N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(-c2ccc(C)o2)nc1C.
What is the InChIKey of N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is BCEPPTNIPYIYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-5-8-15-10(3)13-11(4)16-14(18-13)12-7-6-9(2)17-12/h6-7,10,15H,5,8H2,1-4H3.
What are the key properties of N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 61283071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).