[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine

C12H16N2OS — CID 114361063

IUPAC[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(-c2ccoc2)sc1CN
InChIInChI=1S/C12H16N2OS/c1-12(2,3)10-9(6-13)16-11(14-10)8-4-5-15-7-8/h4-5,7H,6,13H2,1-3H3
InChIKeyINQNWZHVLGUVEP-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.16
Rot. Bonds2

About [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361063) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361063
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(-c2ccoc2)sc1CN
InChIInChI=1S/C12H16N2OS/c1-12(2,3)10-9(6-13)16-11(14-10)8-4-5-15-7-8/h4-5,7H,6,13H2,1-3H3
InChIKeyINQNWZHVLGUVEP-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 114361063) is [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine is CC(C)(C)c1nc(-c2ccoc2)sc1CN.
What is the InChIKey of [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is INQNWZHVLGUVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2,3)10-9(6-13)16-11(14-10)8-4-5-15-7-8/h4-5,7H,6,13H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).