5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine

C19H18N4OS — CID 31043477

IUPAC5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCN(Cc1nc2ccccc2o1)Cc1cnc(Nc2ccccc2)s1
InChIInChI=1S/C19H18N4OS/c1-23(13-18-22-16-9-5-6-10-17(16)24-18)12-15-11-20-19(25-15)21-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNHRQKHMTHBSOIV-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.66
Rot. Bonds6

About 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine

5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 31043477) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID31043477
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCN(Cc1nc2ccccc2o1)Cc1cnc(Nc2ccccc2)s1
InChIInChI=1S/C19H18N4OS/c1-23(13-18-22-16-9-5-6-10-17(16)24-18)12-15-11-20-19(25-15)21-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNHRQKHMTHBSOIV-UHFFFAOYSA-N
XLogP4.66
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 18094955
2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide
CID 169415124
[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765066
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 18144888
2-ethyl-1,3-benzoxazole
CID 23239
(1R)-1-(1,3-benzothiazol-2-yl)-N-(1,3-benzoxazol-2-ylmethyl)-N-methylethanamine
CID 9048703
(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
CID 94489500
2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 60589363
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanol
CID 111101944
2-[1,3-benzoxazol-2-ylmethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425891

Frequently Asked Questions

What is the IUPAC name of 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine (CID 31043477) is 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine is CN(Cc1nc2ccccc2o1)Cc1cnc(Nc2ccccc2)s1.
What is the InChIKey of 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is NHRQKHMTHBSOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-23(13-18-22-16-9-5-6-10-17(16)24-18)12-15-11-20-19(25-15)21-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,20,21).
What are the key properties of 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine?
5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 350.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 31043477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).