N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine

C11H18N2OS — CID 104744208

IUPACN-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(C2CCOC2)cs1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)13-10-12-9(7-15-10)8-4-5-14-6-8/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyMMZARCWDRZSUPY-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.86
Rot. Bonds2

About N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine

N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 104744208) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID104744208
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(C2CCOC2)cs1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)13-10-12-9(7-15-10)8-4-5-14-6-8/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyMMZARCWDRZSUPY-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 104744208) is N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine is CC(C)(C)Nc1nc(C2CCOC2)cs1.
What is the InChIKey of N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MMZARCWDRZSUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)13-10-12-9(7-15-10)8-4-5-14-6-8/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104744208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).