1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine

C17H24N2OS2 — CID 47035019

IUPAC1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)c1nc(CN(Cc2cccs2)CC2CCCO2)cs1
InChIInChI=1S/C17H24N2OS2/c1-13(2)17-18-14(12-22-17)9-19(10-15-5-3-7-20-15)11-16-6-4-8-21-16/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3
InChIKeyYFFYVBCGIIILDZ-UHFFFAOYSA-N
MW336.53 g/mol
LogP4.51
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine

1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 47035019) has the molecular formula C17H24N2OS2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID47035019
Molecular FormulaC17H24N2OS2
Molecular Weight336.53 g/mol
Exact Mass336.13
IUPAC Name1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)c1nc(CN(Cc2cccs2)CC2CCCO2)cs1
InChIInChI=1S/C17H24N2OS2/c1-13(2)17-18-14(12-22-17)9-19(10-15-5-3-7-20-15)11-16-6-4-8-21-16/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3
InChIKeyYFFYVBCGIIILDZ-UHFFFAOYSA-N
XLogP4.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine (CID 47035019) is 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine is CC(C)c1nc(CN(Cc2cccs2)CC2CCCO2)cs1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is YFFYVBCGIIILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS2/c1-13(2)17-18-14(12-22-17)9-19(10-15-5-3-7-20-15)11-16-6-4-8-21-16/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 336.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 47035019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).