[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine

C13H22N2OS — CID 114362103

IUPAC[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(CC2CCCO2)sc1CN
InChIInChI=1S/C13H22N2OS/c1-9(2)6-11-12(8-14)17-13(15-11)7-10-4-3-5-16-10/h9-10H,3-8,14H2,1-2H3
InChIKeyZTULTJZPELYCKW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.52
Rot. Bonds5

About [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine

[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362103) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362103
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(CC2CCCO2)sc1CN
InChIInChI=1S/C13H22N2OS/c1-9(2)6-11-12(8-14)17-13(15-11)7-10-4-3-5-16-10/h9-10H,3-8,14H2,1-2H3
InChIKeyZTULTJZPELYCKW-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine (CID 114362103) is [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(CC2CCCO2)sc1CN.
What is the InChIKey of [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZTULTJZPELYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)6-11-12(8-14)17-13(15-11)7-10-4-3-5-16-10/h9-10H,3-8,14H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).