N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine

C11H18N2S — CID 79328957

IUPACN-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1cnc(C)s1)CC
InChIInChI=1S/C11H18N2S/c1-4-10(7-12-5-2)6-11-8-13-9(3)14-11/h6,8,12H,4-5,7H2,1-3H3
InChIKeyIEUSIFJQGPETNB-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.85
Rot. Bonds5

About N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine

N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine (PubChem CID 79328957) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
PubChem CID79328957
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1cnc(C)s1)CC
InChIInChI=1S/C11H18N2S/c1-4-10(7-12-5-2)6-11-8-13-9(3)14-11/h6,8,12H,4-5,7H2,1-3H3
InChIKeyIEUSIFJQGPETNB-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The IUPAC name of N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine (CID 79328957) is N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine is CCNCC(=Cc1cnc(C)s1)CC.
What is the InChIKey of N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
The InChIKey is IEUSIFJQGPETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-10(7-12-5-2)6-11-8-13-9(3)14-11/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine?
N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79328957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).