1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine

C11H20N2S — CID 61332553

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1nc(C)c(C)s1
InChIInChI=1S/C11H20N2S/c1-5-7-10(12-6-2)11-13-8(3)9(4)14-11/h10,12H,5-7H2,1-4H3
InChIKeyBEZYOPRJLCMOJC-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.21
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine (PubChem CID 61332553) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
PubChem CID61332553
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1nc(C)c(C)s1
InChIInChI=1S/C11H20N2S/c1-5-7-10(12-6-2)11-13-8(3)9(4)14-11/h10,12H,5-7H2,1-4H3
InChIKeyBEZYOPRJLCMOJC-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine (CID 61332553) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
The InChIKey is BEZYOPRJLCMOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-7-10(12-6-2)11-13-8(3)9(4)14-11/h10,12H,5-7H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 61332553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).