5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C15H16ClN5OS — CID 122134144

IUPAC5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNCc2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C15H16ClN5OS/c1-21(2)15-19-13(22-20-15)9-17-7-12-8-18-14(23-12)10-3-5-11(16)6-4-10/h3-6,8,17H,7,9H2,1-2H3
InChIKeyIOSBNZRSQASWBZ-UHFFFAOYSA-N
MW349.85 g/mol
LogP3.20
Rot. Bonds6

About 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 122134144) has the molecular formula C15H16ClN5OS and a molecular weight of 349.85 g/mol. Its IUPAC name is 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID122134144
Molecular FormulaC15H16ClN5OS
Molecular Weight349.85 g/mol
Exact Mass349.08
IUPAC Name5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNCc2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C15H16ClN5OS/c1-21(2)15-19-13(22-20-15)9-17-7-12-8-18-14(23-12)10-3-5-11(16)6-4-10/h3-6,8,17H,7,9H2,1-2H3
InChIKeyIOSBNZRSQASWBZ-UHFFFAOYSA-N
XLogP3.20
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

5-[[(3-chloro-4-methylphenyl)methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 99842307
2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091914
3-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122013758
1-cyclopenta-1,4-dien-1-yl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine
CID 91928151
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 78914813
N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404972
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82422531
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
1-[4-[5-[[(4-chlorophenyl)methylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 59643556
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylbut-3-en-2-ol
CID 24714972
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86825780

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 122134144) is 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CNCc2cnc(-c3ccc(Cl)cc3)s2)n1.
What is the InChIKey of 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is IOSBNZRSQASWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5OS/c1-21(2)15-19-13(22-20-15)9-17-7-12-8-18-14(23-12)10-3-5-11(16)6-4-10/h3-6,8,17H,7,9H2,1-2H3.
What are the key properties of 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 349.85 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methylamino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 122134144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).