2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H22N2OS — CID 65328271

IUPAC2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(C2CCCO2)sc1CNCC(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)7-14-8-12-10(3)15-13(17-12)11-5-4-6-16-11/h9,11,14H,4-8H2,1-3H3
InChIKeyIERINODLCAERRT-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.05
Rot. Bonds5

About 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 65328271) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID65328271
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(C2CCCO2)sc1CNCC(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)7-14-8-12-10(3)15-13(17-12)11-5-4-6-16-11/h9,11,14H,4-8H2,1-3H3
InChIKeyIERINODLCAERRT-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 65328271) is 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is Cc1nc(C2CCCO2)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is IERINODLCAERRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)7-14-8-12-10(3)15-13(17-12)11-5-4-6-16-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65328271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).