5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine

C13H17N3OS — CID 62751541

IUPAC5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2ncc(CN)s2)cc1
InChIInChI=1S/C13H17N3OS/c1-16(13-15-8-12(7-14)18-13)9-10-3-5-11(17-2)6-4-10/h3-6,8H,7,9,14H2,1-2H3
InChIKeyGHYVTGGOPRIBCI-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.25
Rot. Bonds5

About 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 62751541) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID62751541
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2ncc(CN)s2)cc1
InChIInChI=1S/C13H17N3OS/c1-16(13-15-8-12(7-14)18-13)9-10-3-5-11(17-2)6-4-10/h3-6,8H,7,9,14H2,1-2H3
InChIKeyGHYVTGGOPRIBCI-UHFFFAOYSA-N
XLogP2.25
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
N-benzyl-5-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CID 130569174
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753296
3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 155123145
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753127
5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887663
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62750354
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541718
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 62751541) is 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine is COc1ccc(CN(C)c2ncc(CN)s2)cc1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GHYVTGGOPRIBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-16(13-15-8-12(7-14)18-13)9-10-3-5-11(17-2)6-4-10/h3-6,8H,7,9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62751541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).