N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine

C11H13N3S — CID 60870847

IUPACN-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESNCc1cccc(CNc2nccs2)c1
InChIInChI=1S/C11H13N3S/c12-7-9-2-1-3-10(6-9)8-14-11-13-4-5-15-11/h1-6H,7-8,12H2,(H,13,14)
InChIKeyWOMYKGPEQYYYEF-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.21
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine

N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 60870847) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID60870847
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESNCc1cccc(CNc2nccs2)c1
InChIInChI=1S/C11H13N3S/c12-7-9-2-1-3-10(6-9)8-14-11-13-4-5-15-11/h1-6H,7-8,12H2,(H,13,14)
InChIKeyWOMYKGPEQYYYEF-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

N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine
CID 62133080
N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 78982895
N-[[3-(aminomethyl)phenyl]methyl]-5-iodopyrimidin-2-amine
CID 116648248
N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
CID 4711877
N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine
CID 173407202
N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824844
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104729869
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 113224729
6-[(1,3-thiazol-2-ylamino)methyl]pyridin-3-ol
CID 79794027

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 60870847) is N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine is NCc1cccc(CNc2nccs2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is WOMYKGPEQYYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-7-9-2-1-3-10(6-9)8-14-11-13-4-5-15-11/h1-6H,7-8,12H2,(H,13,14).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine?
N-[[3-(aminomethyl)phenyl]methyl]-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 N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60870847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).