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

C12H20N2OS — CID 63739305

IUPAC2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(C2CCCOC2)c(N)s1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)11-14-9(10(13)16-11)8-5-4-6-15-7-8/h8H,4-7,13H2,1-3H3
InChIKeyBKDLCUNFBYHBED-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.92
Rot. Bonds1

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

2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine (PubChem CID 63739305) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
PubChem CID63739305
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(C2CCCOC2)c(N)s1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)11-14-9(10(13)16-11)8-5-4-6-15-7-8/h8H,4-7,13H2,1-3H3
InChIKeyBKDLCUNFBYHBED-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine (CID 63739305) is 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine is CC(C)(C)c1nc(C2CCCOC2)c(N)s1.
What is the InChIKey of 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
The InChIKey is BKDLCUNFBYHBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,3)11-14-9(10(13)16-11)8-5-4-6-15-7-8/h8H,4-7,13H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine has a molecular weight of 240.37 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 63739305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).