N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C15H21N3OS — CID 62752896

IUPACN-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H21N3OS/c1-4-9-16-10-14-11-17-15(20-14)18(2)12-5-7-13(19-3)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyVHYCWYYXMTYANS-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.42
Rot. Bonds7

About N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62752896) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62752896
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H21N3OS/c1-4-9-16-10-14-11-17-15(20-14)18(2)12-5-7-13(19-3)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyVHYCWYYXMTYANS-UHFFFAOYSA-N
XLogP3.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.42
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-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753080
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752533
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294261
5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750864
N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752743
N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79858515
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62754981

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62752896) is N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(C)c2ccc(OC)cc2)s1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is VHYCWYYXMTYANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-9-16-10-14-11-17-15(20-14)18(2)12-5-7-13(19-3)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).