N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine

C19H16FN3OS — CID 8803361

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCN(Cc1ncc(-c2ccc(F)cc2)o1)Cc1nc2ccccc2s1
InChIInChI=1S/C19H16FN3OS/c1-23(12-19-22-15-4-2-3-5-17(15)25-19)11-18-21-10-16(24-18)13-6-8-14(20)9-7-13/h2-10H,11-12H2,1H3
InChIKeyITZXTCYASFHZLN-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.72
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 8803361) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID8803361
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCN(Cc1ncc(-c2ccc(F)cc2)o1)Cc1nc2ccccc2s1
InChIInChI=1S/C19H16FN3OS/c1-23(12-19-22-15-4-2-3-5-17(15)25-19)11-18-21-10-16(24-18)13-6-8-14(20)9-7-13/h2-10H,11-12H2,1H3
InChIKeyITZXTCYASFHZLN-UHFFFAOYSA-N
XLogP4.72
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Difluorophenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191257
2-(2-fluorobenzyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 24790230
2-(4-methoxybenzyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816935
2-[[2-(1,3-Benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16293657
5-(4-fluorophenyl)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)oxazole-2-carboxamide
CID 16950336
N-(3-(Benzo[d]thiazol-2-yl)thiophen-2-yl)-4-(oxazol-5-yl)benzenesulfonamide
CID 45268840
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71869006
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 155538119
2-[4-(1,3-Benzothiazol-2-yl)phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156016534
2-(4-Methylthieno[3,2-b]pyrrol-5-yl)-5-phenyl-1,3-oxazole
CID 156017924
2-[(2-Phenyl-1,3-oxazol-5-yl)methylthio]benzothiazole
CID 683050
N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]thiazole-2-carboxamide
CID 163367405

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (CID 8803361) is N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is CN(Cc1ncc(-c2ccc(F)cc2)o1)Cc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is ITZXTCYASFHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-23(12-19-22-15-4-2-3-5-17(15)25-19)11-18-21-10-16(24-18)13-6-8-14(20)9-7-13/h2-10H,11-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 353.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 8803361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).