N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine

C11H18N2S — CID 104863108

IUPACN-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine
SMILESCC(=Cc1cscn1)CNC(C)(C)C
InChIInChI=1S/C11H18N2S/c1-9(6-13-11(2,3)4)5-10-7-14-8-12-10/h5,7-8,13H,6H2,1-4H3
InChIKeyJWVJDAMHJAUCMW-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.93
Rot. Bonds3

About N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine

N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine (PubChem CID 104863108) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine
PubChem CID104863108
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine
SMILESCC(=Cc1cscn1)CNC(C)(C)C
InChIInChI=1S/C11H18N2S/c1-9(6-13-11(2,3)4)5-10-7-14-8-12-10/h5,7-8,13H,6H2,1-4H3
InChIKeyJWVJDAMHJAUCMW-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine (CID 104863108) is N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine is CC(=Cc1cscn1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine?
The InChIKey is JWVJDAMHJAUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(6-13-11(2,3)4)5-10-7-14-8-12-10/h5,7-8,13H,6H2,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine?
N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 104863108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).