3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline

C15H18N2OS — CID 82833997

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
SMILESCc1nc(-c2cccc(NCC3CCCO3)c2)cs1
InChIInChI=1S/C15H18N2OS/c1-11-17-15(10-19-11)12-4-2-5-13(8-12)16-9-14-6-3-7-18-14/h2,4-5,8,10,14,16H,3,6-7,9H2,1H3
InChIKeySVGWOGXUQQDDJU-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.71
Rot. Bonds4

About 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline

3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline (PubChem CID 82833997) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
PubChem CID82833997
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
SMILESCc1nc(-c2cccc(NCC3CCCO3)c2)cs1
InChIInChI=1S/C15H18N2OS/c1-11-17-15(10-19-11)12-4-2-5-13(8-12)16-9-14-6-3-7-18-14/h2,4-5,8,10,14,16H,3,6-7,9H2,1H3
InChIKeySVGWOGXUQQDDJU-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40917313
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9396292
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714289
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 64500643
N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 104860018
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline (CID 82833997) is 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline is Cc1nc(-c2cccc(NCC3CCCO3)c2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is SVGWOGXUQQDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-17-15(10-19-11)12-4-2-5-13(8-12)16-9-14-6-3-7-18-14/h2,4-5,8,10,14,16H,3,6-7,9H2,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline?
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 274.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 82833997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).