4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine

C11H13N3S — CID 84684942

IUPAC4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
SMILESNCc1csc(NCc2ccccc2)n1
InChIInChI=1S/C11H13N3S/c12-6-10-8-15-11(14-10)13-7-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14)
InChIKeyRVJKTGXGWCBWIE-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.21
Rot. Bonds4

About 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine

4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine (PubChem CID 84684942) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
PubChem CID84684942
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
SMILESNCc1csc(NCc2ccccc2)n1
InChIInChI=1S/C11H13N3S/c12-6-10-8-15-11(14-10)13-7-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14)
InChIKeyRVJKTGXGWCBWIE-UHFFFAOYSA-N
XLogP2.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-1,3-thiazol-2-amine
CID 83156780
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 84761962
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 84761905
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
[2-(benzylamino)-1,3-thiazol-4-yl] propanoate
CID 174422518

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine (CID 84684942) is 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine is NCc1csc(NCc2ccccc2)n1.
What is the InChIKey of 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine?
The InChIKey is RVJKTGXGWCBWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-6-10-8-15-11(14-10)13-7-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine?
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine is sourced from PubChem (CID 84684942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).