5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine

C16H22N2O2S — CID 82160764

IUPAC5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCCCCOc1cc(-c2sc(N)nc2C)ccc1OC
InChIInChI=1S/C16H22N2O2S/c1-4-5-6-9-20-14-10-12(7-8-13(14)19-3)15-11(2)18-16(17)21-15/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyBQBZRTJVNQMWMR-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.28
Rot. Bonds7

About 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine

5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 82160764) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID82160764
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCCCCOc1cc(-c2sc(N)nc2C)ccc1OC
InChIInChI=1S/C16H22N2O2S/c1-4-5-6-9-20-14-10-12(7-8-13(14)19-3)15-11(2)18-16(17)21-15/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyBQBZRTJVNQMWMR-UHFFFAOYSA-N
XLogP4.28
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775314
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 94774414
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine
CID 164893864
[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775313
3,6-bis(3,4-dipentoxyphenyl)-1,2,4,5-tetrazine
CID 102109061
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
CID 175592124
diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232519
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427260
2,3-bis(3,4-dioctoxyphenyl)quinoxaline-6,7-diamine
CID 102597963

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine (CID 82160764) is 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine is CCCCCOc1cc(-c2sc(N)nc2C)ccc1OC.
What is the InChIKey of 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is BQBZRTJVNQMWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-5-6-9-20-14-10-12(7-8-13(14)19-3)15-11(2)18-16(17)21-15/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18).
What are the key properties of 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 306.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82160764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).