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

C17H30N2OS — CID 114369670

IUPAC2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(CC2CCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C17H30N2OS/c1-12(2)9-14-15(11-18-17(3,4)5)21-16(19-14)10-13-7-6-8-20-13/h12-13,18H,6-11H2,1-5H3
InChIKeyKYLOTYJXGXYISJ-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.95
Rot. Bonds6

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

2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114369670) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114369670
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(CC2CCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C17H30N2OS/c1-12(2)9-14-15(11-18-17(3,4)5)21-16(19-14)10-13-7-6-8-20-13/h12-13,18H,6-11H2,1-5H3
InChIKeyKYLOTYJXGXYISJ-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362103
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
N-[[4-methyl-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404257
N-[[4-ethyl-2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841390
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405
2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369789
2-methyl-N-[[4-(2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369705
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839
2-methyl-N-[[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364653
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768551
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114369670) is 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)Cc1nc(CC2CCCO2)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is KYLOTYJXGXYISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-12(2)9-14-15(11-18-17(3,4)5)21-16(19-14)10-13-7-6-8-20-13/h12-13,18H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114369670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).