[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine

C11H18N2OS — CID 114361819

IUPAC[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOC(C)(C)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,14-3)10-13-9(7-4-5-7)8(6-12)15-10/h7H,4-6,12H2,1-3H3
InChIKeyVEZFWCRBGOMMCG-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.36
Rot. Bonds4

About [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361819) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361819
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOC(C)(C)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,14-3)10-13-9(7-4-5-7)8(6-12)15-10/h7H,4-6,12H2,1-3H3
InChIKeyVEZFWCRBGOMMCG-UHFFFAOYSA-N
XLogP2.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine (CID 114361819) is [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine is COC(C)(C)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VEZFWCRBGOMMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,14-3)10-13-9(7-4-5-7)8(6-12)15-10/h7H,4-6,12H2,1-3H3.
What are the key properties of [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).