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

C14H24N2OS — CID 80684801

IUPACN-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2(C)CCCCO2)n1
InChIInChI=1S/C14H24N2OS/c1-4-8-15-11(2)12-10-18-13(16-12)14(3)7-5-6-9-17-14/h10-11,15H,4-9H2,1-3H3
InChIKeyOGDRAVHDFQKZSP-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.62
Rot. Bonds5

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

N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 80684801) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID80684801
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2(C)CCCCO2)n1
InChIInChI=1S/C14H24N2OS/c1-4-8-15-11(2)12-10-18-13(16-12)14(3)7-5-6-9-17-14/h10-11,15H,4-9H2,1-3H3
InChIKeyOGDRAVHDFQKZSP-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 80684801) is N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(C2(C)CCCCO2)n1.
What is the InChIKey of N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is OGDRAVHDFQKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-8-15-11(2)12-10-18-13(16-12)14(3)7-5-6-9-17-14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 80684801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).