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

C12H22N2OS — CID 115718767

IUPACN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine
SMILESCCc1nc(C(C)NC(C)C(C)OC)cs1
InChIInChI=1S/C12H22N2OS/c1-6-12-14-11(7-16-12)9(3)13-8(2)10(4)15-5/h7-10,13H,6H2,1-5H3
InChIKeySWWCWIILHUJJBO-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.78
Rot. Bonds6

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

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115718767) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine
PubChem CID115718767
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine
SMILESCCc1nc(C(C)NC(C)C(C)OC)cs1
InChIInChI=1S/C12H22N2OS/c1-6-12-14-11(7-16-12)9(3)13-8(2)10(4)15-5/h7-10,13H,6H2,1-5H3
InChIKeySWWCWIILHUJJBO-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine (CID 115718767) is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine is CCc1nc(C(C)NC(C)C(C)OC)cs1.
What is the InChIKey of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is SWWCWIILHUJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-12-14-11(7-16-12)9(3)13-8(2)10(4)15-5/h7-10,13H,6H2,1-5H3.
What are the key properties of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine?
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115718767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).