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

C13H18N2OS — CID 43783208

IUPAC1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1ncsc1C(C)NC(C)Cc1ccco1
InChIInChI=1S/C13H18N2OS/c1-9(7-12-5-4-6-16-12)15-11(3)13-10(2)14-8-17-13/h4-6,8-9,11,15H,7H2,1-3H3
InChIKeyGTZNAXGBKMEKBV-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.33
Rot. Bonds5

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

1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (PubChem CID 43783208) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
PubChem CID43783208
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1ncsc1C(C)NC(C)Cc1ccco1
InChIInChI=1S/C13H18N2OS/c1-9(7-12-5-4-6-16-12)15-11(3)13-10(2)14-8-17-13/h4-6,8-9,11,15H,7H2,1-3H3
InChIKeyGTZNAXGBKMEKBV-UHFFFAOYSA-N
XLogP3.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (CID 43783208) is 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is Cc1ncsc1C(C)NC(C)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is GTZNAXGBKMEKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(7-12-5-4-6-16-12)15-11(3)13-10(2)14-8-17-13/h4-6,8-9,11,15H,7H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43783208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).