4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine

C14H18N2OS — CID 82161283

IUPAC4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cccc(OCC(C)C)c1
InChIInChI=1S/C14H18N2OS/c1-9(2)8-17-12-6-4-5-11(7-12)13-10(3)16-14(15)18-13/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyUKRUTQGMGPJLFC-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.74
Rot. Bonds4

About 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine

4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 82161283) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID82161283
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cccc(OCC(C)C)c1
InChIInChI=1S/C14H18N2OS/c1-9(2)8-17-12-6-4-5-11(7-12)13-10(3)16-14(15)18-13/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyUKRUTQGMGPJLFC-UHFFFAOYSA-N
XLogP3.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 57473304
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 141188121
5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 86653054
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
CID 74242452
3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852082
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine (CID 82161283) is 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1cccc(OCC(C)C)c1.
What is the InChIKey of 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is UKRUTQGMGPJLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)8-17-12-6-4-5-11(7-12)13-10(3)16-14(15)18-13/h4-7,9H,8H2,1-3H3,(H2,15,16).
What are the key properties of 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82161283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).