N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

C17H17N3OS — CID 56810052

IUPACN-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(-c2nc(CNCc3cccnc3)cs2)c1
InChIInChI=1S/C17H17N3OS/c1-21-16-6-2-5-14(8-16)17-20-15(12-22-17)11-19-10-13-4-3-7-18-9-13/h2-9,12,19H,10-11H2,1H3
InChIKeySFFJGYHWVLZCAE-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.50
Rot. Bonds6

About N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 56810052) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID56810052
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(-c2nc(CNCc3cccnc3)cs2)c1
InChIInChI=1S/C17H17N3OS/c1-21-16-6-2-5-14(8-16)17-20-15(12-22-17)11-19-10-13-4-3-7-18-9-13/h2-9,12,19H,10-11H2,1H3
InChIKeySFFJGYHWVLZCAE-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 108779961
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
CID 30649329
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280499
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 55388121

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (CID 56810052) is N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is COc1cccc(-c2nc(CNCc3cccnc3)cs2)c1.
What is the InChIKey of N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is SFFJGYHWVLZCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-21-16-6-2-5-14(8-16)17-20-15(12-22-17)11-19-10-13-4-3-7-18-9-13/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 311.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56810052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).