4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine

C13H16N2OS — CID 8962689

IUPAC4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-3-8-14-13-15-12(9-17-13)10-4-6-11(16-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyCYRXOBXQXAYYRQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.64
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 8962689) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID8962689
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-3-8-14-13-15-12(9-17-13)10-4-6-11(16-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyCYRXOBXQXAYYRQ-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 63473179
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 62941456
4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 82515705
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
N-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8962774
1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 9420097
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine (CID 8962689) is 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is CYRXOBXQXAYYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-8-14-13-15-12(9-17-13)10-4-6-11(16-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8962689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).