1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine

C11H20N2S — CID 130964625

IUPAC1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C(C)(C)C)c(C)s1
InChIInChI=1S/C11H20N2S/c1-6-8(12)10-13-9(7(2)14-10)11(3,4)5/h8H,6,12H2,1-5H3
InChIKeyLYDVMHADHOHIPM-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.16
Rot. Bonds2

About 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine

1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 130964625) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID130964625
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C(C)(C)C)c(C)s1
InChIInChI=1S/C11H20N2S/c1-6-8(12)10-13-9(7(2)14-10)11(3,4)5/h8H,6,12H2,1-5H3
InChIKeyLYDVMHADHOHIPM-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 130964625) is 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(N)c1nc(C(C)(C)C)c(C)s1.
What is the InChIKey of 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is LYDVMHADHOHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-6-8(12)10-13-9(7(2)14-10)11(3,4)5/h8H,6,12H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine?
1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 130964625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).