1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine

C14H18N2OS — CID 54930620

IUPAC1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cscn2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-12(15)7-11-3-5-14(6-4-11)17-8-13-9-18-10-16-13/h3-6,9-10,12H,2,7-8,15H2,1H3
InChIKeyYJJQRPWFPDQDKH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.00
Rot. Bonds6

About 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine

1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine (PubChem CID 54930620) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
PubChem CID54930620
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cscn2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-12(15)7-11-3-5-14(6-4-11)17-8-13-9-18-10-16-13/h3-6,9-10,12H,2,7-8,15H2,1H3
InChIKeyYJJQRPWFPDQDKH-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 55146768
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 61487429
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 54930396
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 60907800
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
CID 54930573
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole
CID 166360385
1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 104667097

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine (CID 54930620) is 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2cscn2)cc1.
What is the InChIKey of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is YJJQRPWFPDQDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-12(15)7-11-3-5-14(6-4-11)17-8-13-9-18-10-16-13/h3-6,9-10,12H,2,7-8,15H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 54930620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).