4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane

C23H30N2OS — CID 143616512

IUPAC4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane
SMILESCC.CCCCc1nc(-c2ccc(OCc3ccccc3)cc2)sc1NC
InChIInChI=1S/C21H24N2OS.C2H6/c1-3-4-10-19-21(22-2)25-20(23-19)17-11-13-18(14-12-17)24-15-16-8-6-5-7-9-16;1-2/h5-9,11-14,22H,3-4,10,15H2,1-2H3;1-2H3
InChIKeyAVOXVNUHLBXISJ-UHFFFAOYSA-N
MW382.57 g/mol
LogP6.80
Rot. Bonds8

About 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane

4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane (PubChem CID 143616512) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane.

Molecular Properties

Compound Name4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane
PubChem CID143616512
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane
SMILESCC.CCCCc1nc(-c2ccc(OCc3ccccc3)cc2)sc1NC
InChIInChI=1S/C21H24N2OS.C2H6/c1-3-4-10-19-21(22-2)25-20(23-19)17-11-13-18(14-12-17)24-15-16-8-6-5-7-9-16;1-2/h5-9,11-14,22H,3-4,10,15H2,1-2H3;1-2H3
InChIKeyAVOXVNUHLBXISJ-UHFFFAOYSA-N
XLogP6.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
phenoxymethylbenzene;tetradecane
CID 175006528
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
CID 139782099
1-phenylmethoxy-4-propoxybenzene
CID 10728874
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892
N,N-dimethyl-1-[6-(4-phenylmethoxyphenyl)-2-pyridinyl]pentan-1-amine
CID 70645341
1-[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-[4-(3-phenylmethoxypropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethane-1,2-diol
CID 91233053
4-[(4-methylphenoxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226795
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane?
The IUPAC name of 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane (CID 143616512) is 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane.
What is the SMILES notation for 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane?
The canonical SMILES for 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane is CC.CCCCc1nc(-c2ccc(OCc3ccccc3)cc2)sc1NC.
What is the InChIKey of 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane?
The InChIKey is AVOXVNUHLBXISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS.C2H6/c1-3-4-10-19-21(22-2)25-20(23-19)17-11-13-18(14-12-17)24-15-16-8-6-5-7-9-16;1-2/h5-9,11-14,22H,3-4,10,15H2,1-2H3;1-2H3.
What are the key properties of 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane?
4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane has a molecular weight of 382.57 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane is sourced from PubChem (CID 143616512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).