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

C12H15N3OS — CID 55113856

IUPAC5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(N(C)c2ncc(CN)s2)c1
InChIInChI=1S/C12H15N3OS/c1-15(12-14-8-11(7-13)17-12)9-4-3-5-10(6-9)16-2/h3-6,8H,7,13H2,1-2H3
InChIKeyRNQFCDWQUIZWAV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.38
Rot. Bonds4

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

5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 55113856) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID55113856
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(N(C)c2ncc(CN)s2)c1
InChIInChI=1S/C12H15N3OS/c1-15(12-14-8-11(7-13)17-12)9-4-3-5-10(6-9)16-2/h3-6,8H,7,13H2,1-2H3
InChIKeyRNQFCDWQUIZWAV-UHFFFAOYSA-N
XLogP2.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766655
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583
5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766654
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62751541
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 107541879
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231344
5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534075
5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183
5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80606084
3-methoxy-N,N-disilylaniline
CID 149149494

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 55113856) is 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is COc1cccc(N(C)c2ncc(CN)s2)c1.
What is the InChIKey of 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is RNQFCDWQUIZWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(12-14-8-11(7-13)17-12)9-4-3-5-10(6-9)16-2/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55113856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).