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

C15H21N3OS — CID 82542709

IUPAC5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2OC)c(C(C)CCN)s1
InChIInChI=1S/C15H21N3OS/c1-10(8-9-16)14-13(18-15(17-2)20-14)11-6-4-5-7-12(11)19-3/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyPPGWDQZXZIAHGY-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.31
Rot. Bonds6

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

5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 82542709) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID82542709
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2OC)c(C(C)CCN)s1
InChIInChI=1S/C15H21N3OS/c1-10(8-9-16)14-13(18-15(17-2)20-14)11-6-4-5-7-12(11)19-3/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyPPGWDQZXZIAHGY-UHFFFAOYSA-N
XLogP3.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-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

5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542023
4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540427
3-[5-(2-methoxyphenyl)furan-2-yl]butan-1-amine
CID 82542723
3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
CID 116884811
3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884799
3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542720
3-(2-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268941
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
3-[4-[2-[(dimethylamino)methyl]phenyl]-2-(methylamino)-1,3-thiazol-5-yl]butanoic acid
CID 110447466
5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82516112
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685789
2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210828

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 82542709) is 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccccc2OC)c(C(C)CCN)s1.
What is the InChIKey of 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is PPGWDQZXZIAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10(8-9-16)14-13(18-15(17-2)20-14)11-6-4-5-7-12(11)19-3/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82542709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).