4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine

C13H17N3S — CID 28710900

IUPAC4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1CNc1nc(CCN)cs1
InChIInChI=1S/C13H17N3S/c1-10-4-2-3-5-11(10)8-15-13-16-12(6-7-14)9-17-13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyINDVJJJFSJAAFF-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.56
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine

4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 28710900) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID28710900
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1CNc1nc(CCN)cs1
InChIInChI=1S/C13H17N3S/c1-10-4-2-3-5-11(10)8-15-13-16-12(6-7-14)9-17-13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyINDVJJJFSJAAFF-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 28710980
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 10647870
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
CID 28711493
4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
CID 84761990
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288535

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 28710900) is 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1ccccc1CNc1nc(CCN)cs1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is INDVJJJFSJAAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-4-2-3-5-11(10)8-15-13-16-12(6-7-14)9-17-13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28710900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).