N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine

C13H22N2S — CID 115698948

IUPACN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCc1cnc(C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-3-10(4-2)7-14-8-12-9-15-13(16-12)11-5-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyUBNGIKKDIPIBTA-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.55
Rot. Bonds7

About N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine

N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine (PubChem CID 115698948) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
PubChem CID115698948
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCc1cnc(C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-3-10(4-2)7-14-8-12-9-15-13(16-12)11-5-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyUBNGIKKDIPIBTA-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine (CID 115698948) is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine is CCC(CC)CNCc1cnc(C2CC2)s1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine?
The InChIKey is UBNGIKKDIPIBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-10(4-2)7-14-8-12-9-15-13(16-12)11-5-6-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine?
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 115698948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).