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

C11H16N2S — CID 63998554

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1cnc(CC)s1
InChIInChI=1S/C11H16N2S/c1-5-10-12-7-9(14-10)8-13-11(3,4)6-2/h2,7,13H,5,8H2,1,3-4H3
InChIKeyRLMOOVMMSCRWCE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.21
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine (PubChem CID 63998554) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
PubChem CID63998554
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1cnc(CC)s1
InChIInChI=1S/C11H16N2S/c1-5-10-12-7-9(14-10)8-13-11(3,4)6-2/h2,7,13H,5,8H2,1,3-4H3
InChIKeyRLMOOVMMSCRWCE-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine (CID 63998554) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine is C#CC(C)(C)NCc1cnc(CC)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
The InChIKey is RLMOOVMMSCRWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-5-10-12-7-9(14-10)8-13-11(3,4)6-2/h2,7,13H,5,8H2,1,3-4H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine has a molecular weight of 208.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63998554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).